REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2w55_1_E DATA FIRST_RESID 1 DATA SEQUENCE MEIAFLLNGE TRRVRIEDPT QSLLEWLRAE GLTGTKEGCN EGDCGACTVM DATA SEQUENCE IRDAAGSRAV NACLMMLPQI AGKALRTIEG IAAPDGRLHP VQQAMIDHHG DATA SEQUENCE SQCGFCTPGF IVSMAAAHDR DRKDYDDLLA GNLCRCTGYA PILRAAEAAA DATA SEQUENCE GEPPADWLQA DAAFTLXXXX XXXXXXXXPA FLPETSDALA DWYLAHPEAT DATA SEQUENCE LIAGGTDVSL WVTKALRDLP EVAFLSHCKD LAQIRETPDG YGIGAGVTIA DATA SEQUENCE ALRAFAEGPH PALAGLLRRF ASEQVRQVAT IGGNIANGSP IGDGPPALIA DATA SEQUENCE MGASLTLRRG QERRRMPLED FFLEYRKQDR RPGEFVESVT LPKSAPGLRC DATA SEQUENCE YKLSKRFDQD ISAVCGCLNL TLKGSKIETA RIAFGGMAGV PKRAAAFEAA DATA SEQUENCE LIGQDFREDT IAAALPLLAQ DFTPLSDMRA SAAYRMNAAQ AMALRYVREL DATA SEQUENCE SGEAVAVLEV MP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.296 176.300 -0.006 0.000 1.140 1 M CA 0.000 55.301 55.300 0.001 0.000 0.988 1 M CB 0.000 32.600 32.600 0.001 0.000 1.302 2 E N 5.600 125.792 120.200 -0.014 0.000 2.210 2 E HA 0.736 5.086 4.350 -0.000 0.000 0.266 2 E C -1.463 175.123 176.600 -0.024 0.000 0.883 2 E CA -0.774 55.619 56.400 -0.012 0.000 0.761 2 E CB 1.880 31.578 29.700 -0.004 0.000 1.156 2 E HN 0.710 nan 8.360 nan 0.000 0.412 3 I N 0.199 120.761 120.570 -0.013 0.000 2.797 3 I HA 0.863 5.033 4.170 -0.000 0.000 0.307 3 I C -0.954 175.199 176.117 0.061 0.000 1.033 3 I CA -0.914 60.389 61.300 0.006 0.000 1.071 3 I CB 2.165 40.156 38.000 -0.015 0.000 1.255 3 I HN 0.454 nan 8.210 nan 0.000 0.445 4 A N 4.896 127.780 122.820 0.107 0.000 2.343 4 A HA 0.873 5.193 4.320 -0.000 0.000 0.308 4 A C -1.016 176.747 177.584 0.298 0.000 1.092 4 A CA -0.456 51.658 52.037 0.128 0.000 0.751 4 A CB 0.758 19.827 19.000 0.116 0.000 1.203 4 A HN 0.886 nan 8.150 nan 0.000 0.452 5 F N 0.465 120.441 119.950 0.044 0.000 2.641 5 F HA 0.694 5.221 4.527 -0.000 0.000 0.308 5 F C -1.508 174.109 175.800 -0.304 0.000 1.105 5 F CA -1.308 56.618 58.000 -0.123 0.000 0.964 5 F CB 1.099 40.007 39.000 -0.154 0.000 1.294 5 F HN 0.407 nan 8.300 nan 0.000 0.442 6 L N 3.318 124.194 121.223 -0.577 0.000 2.319 6 L HA 0.524 4.864 4.340 -0.000 0.000 0.280 6 L C -0.910 175.898 176.870 -0.104 0.000 1.099 6 L CA -0.384 54.153 54.840 -0.504 0.000 0.828 6 L CB 1.073 42.667 42.059 -0.775 0.000 1.150 6 L HN 0.747 nan 8.230 nan 0.000 0.442 7 L N 6.081 127.266 121.223 -0.064 0.000 2.337 7 L HA 0.460 4.800 4.340 -0.000 0.000 0.269 7 L C 0.222 177.121 176.870 0.049 0.000 1.018 7 L CA 0.132 55.026 54.840 0.090 0.000 0.876 7 L CB 0.119 42.272 42.059 0.157 0.000 1.236 7 L HN 0.754 nan 8.230 nan 0.000 0.436 8 N N 3.711 122.444 118.700 0.055 0.000 2.778 8 N HA -0.229 4.511 4.740 -0.000 0.000 0.249 8 N C 0.840 176.382 175.510 0.054 0.000 1.069 8 N CA 1.295 54.381 53.050 0.061 0.000 0.831 8 N CB -1.166 37.359 38.487 0.064 0.000 1.142 8 N HN 1.082 nan 8.380 nan 0.000 0.573 9 G N -0.194 108.620 108.800 0.023 0.000 2.699 9 G HA2 -0.229 3.730 3.960 -0.000 0.000 0.198 9 G HA3 -0.229 3.730 3.960 -0.000 0.000 0.198 9 G C -0.344 174.559 174.900 0.005 0.000 1.033 9 G CA 0.173 45.289 45.100 0.028 0.000 0.728 9 G HN 0.605 nan 8.290 nan 0.000 0.484 10 E N 2.214 122.410 120.200 -0.007 0.000 2.259 10 E HA 0.519 4.869 4.350 -0.000 0.000 0.281 10 E C 0.215 176.779 176.600 -0.061 0.000 1.027 10 E CA -0.017 56.373 56.400 -0.017 0.000 0.838 10 E CB 0.738 30.431 29.700 -0.012 0.000 1.066 10 E HN 0.350 nan 8.360 nan 0.000 0.401 11 T N 1.561 116.092 114.554 -0.038 0.000 2.901 11 T HA 0.298 4.648 4.350 -0.000 0.000 0.301 11 T C -0.022 174.601 174.700 -0.128 0.000 1.012 11 T CA -0.813 61.255 62.100 -0.053 0.000 1.135 11 T CB 0.797 69.713 68.868 0.080 0.000 0.936 11 T HN 0.524 nan 8.240 nan 0.000 0.539 12 R N 1.309 121.638 120.500 -0.284 0.000 2.538 12 R HA 0.421 4.761 4.340 -0.000 0.000 0.292 12 R C -0.903 175.124 176.300 -0.456 0.000 1.008 12 R CA -0.602 55.264 56.100 -0.390 0.000 0.896 12 R CB 1.312 31.289 30.300 -0.538 0.000 1.187 12 R HN 0.715 nan 8.270 nan 0.000 0.440 13 R N 2.698 123.068 120.500 -0.217 0.000 2.474 13 R HA 0.639 4.979 4.340 -0.000 0.000 0.295 13 R C -0.838 175.422 176.300 -0.066 0.000 0.980 13 R CA -0.947 55.078 56.100 -0.126 0.000 0.934 13 R CB 1.906 32.179 30.300 -0.046 0.000 1.101 13 R HN 0.304 nan 8.270 nan 0.000 0.469 14 V N 2.556 122.462 119.914 -0.013 0.000 2.789 14 V HA 0.410 4.530 4.120 -0.000 0.000 0.311 14 V C -0.263 175.851 176.094 0.034 0.000 1.073 14 V CA -1.037 61.296 62.300 0.055 0.000 0.921 14 V CB 2.149 34.001 31.823 0.049 0.000 1.009 14 V HN 0.671 nan 8.190 nan 0.000 0.426 15 R N 3.753 124.287 120.500 0.056 0.000 2.254 15 R HA 0.520 4.860 4.340 -0.000 0.000 0.318 15 R C -0.907 175.414 176.300 0.035 0.000 1.031 15 R CA -0.532 55.591 56.100 0.038 0.000 0.905 15 R CB 0.632 30.959 30.300 0.046 0.000 1.050 15 R HN 0.594 nan 8.270 nan 0.000 0.456 16 I N 4.665 125.240 120.570 0.008 0.000 2.342 16 I HA 0.147 4.317 4.170 -0.000 0.000 0.291 16 I C 0.376 176.511 176.117 0.031 0.000 1.010 16 I CA 0.240 61.542 61.300 0.004 0.000 1.308 16 I CB 1.467 39.449 38.000 -0.030 0.000 1.400 16 I HN 0.869 nan 8.210 nan 0.000 0.488 17 E N 2.511 122.740 120.200 0.048 0.000 2.676 17 E HA 0.091 4.441 4.350 -0.000 0.000 0.225 17 E C -0.699 175.939 176.600 0.063 0.000 0.944 17 E CA 0.034 56.468 56.400 0.055 0.000 1.156 17 E CB 1.028 30.762 29.700 0.058 0.000 1.117 17 E HN 0.490 nan 8.360 nan 0.000 0.523 18 D N 0.885 121.325 120.400 0.066 0.000 2.330 18 D HA 0.115 4.755 4.640 -0.000 0.000 0.249 18 D C -1.936 174.410 176.300 0.076 0.000 1.306 18 D CA -1.948 52.097 54.000 0.075 0.000 0.956 18 D CB 1.418 42.267 40.800 0.082 0.000 1.261 18 D HN -0.172 nan 8.370 nan 0.000 0.544 19 P HA -0.044 nan 4.420 nan 0.000 0.229 19 P C 1.192 178.612 177.300 0.200 0.000 1.160 19 P CA 0.566 63.765 63.100 0.164 0.000 0.777 19 P CB 0.464 32.303 31.700 0.233 0.000 0.814 20 T N -1.363 113.275 114.554 0.139 0.000 3.081 20 T HA -0.000 4.350 4.350 -0.000 0.000 0.255 20 T C 0.946 175.701 174.700 0.091 0.000 1.113 20 T CA 0.029 62.202 62.100 0.122 0.000 1.082 20 T CB -0.415 68.511 68.868 0.098 0.000 0.939 20 T HN 0.055 nan 8.240 nan 0.000 0.506 21 Q N 2.607 122.454 119.800 0.079 0.000 2.289 21 Q HA 0.145 4.485 4.340 -0.000 0.000 0.273 21 Q C 0.003 176.033 176.000 0.048 0.000 1.029 21 Q CA -0.160 55.688 55.803 0.075 0.000 0.896 21 Q CB 0.730 29.526 28.738 0.097 0.000 1.182 21 Q HN 0.523 nan 8.270 nan 0.000 0.385 22 S N 2.877 118.612 115.700 0.059 0.000 2.617 22 S HA 0.069 4.539 4.470 -0.000 0.000 0.269 22 S C 1.053 175.685 174.600 0.054 0.000 1.292 22 S CA -0.817 57.403 58.200 0.034 0.000 1.010 22 S CB 0.956 64.178 63.200 0.037 0.000 0.944 22 S HN 0.706 nan 8.310 nan 0.000 0.536 23 L N 2.252 123.475 121.223 -0.000 0.000 2.012 23 L HA -0.043 4.297 4.340 -0.000 0.000 0.210 23 L C 2.282 179.227 176.870 0.125 0.000 1.073 23 L CA 1.682 56.535 54.840 0.023 0.000 0.748 23 L CB -1.152 40.864 42.059 -0.072 0.000 0.891 23 L HN 0.950 nan 8.230 nan 0.000 0.431 24 L N -0.666 120.600 121.223 0.071 0.000 1.978 24 L HA -0.315 4.025 4.340 -0.000 0.000 0.218 24 L C 2.511 179.436 176.870 0.091 0.000 1.075 24 L CA 1.993 56.873 54.840 0.067 0.000 0.767 24 L CB -0.357 41.726 42.059 0.040 0.000 0.890 24 L HN 0.403 nan 8.230 nan 0.000 0.434 25 E N -1.292 118.970 120.200 0.103 0.000 2.153 25 E HA -0.289 4.061 4.350 -0.000 0.000 0.194 25 E C 1.726 178.405 176.600 0.133 0.000 0.988 25 E CA 1.647 58.108 56.400 0.101 0.000 0.811 25 E CB -0.217 29.544 29.700 0.102 0.000 0.746 25 E HN 0.686 nan 8.360 nan 0.000 0.466 26 W N 0.969 122.270 121.300 0.002 0.000 2.443 26 W HA -0.000 4.660 4.660 -0.000 0.000 0.296 26 W C 1.734 178.264 176.519 0.019 0.000 1.202 26 W CA 0.704 58.056 57.345 0.012 0.000 1.312 26 W CB -0.069 29.395 29.460 0.006 0.000 1.120 26 W HN -0.082 nan 8.180 nan 0.000 0.536 27 L N 0.445 121.777 121.223 0.182 0.000 2.093 27 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 27 L C 2.633 179.437 176.870 -0.111 0.000 1.085 27 L CA 1.419 56.269 54.840 0.016 0.000 0.755 27 L CB -0.749 41.386 42.059 0.125 0.000 0.904 27 L HN -0.090 nan 8.230 nan 0.000 0.435 28 R N -0.256 120.210 120.500 -0.058 0.000 2.090 28 R HA -0.044 4.296 4.340 -0.000 0.000 0.228 28 R C 2.394 178.628 176.300 -0.110 0.000 1.110 28 R CA 1.145 57.208 56.100 -0.063 0.000 0.973 28 R CB -0.396 29.894 30.300 -0.017 0.000 0.869 28 R HN 0.318 nan 8.270 nan 0.000 0.440 29 A N 1.139 123.870 122.820 -0.148 0.000 2.015 29 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 29 A C 1.906 179.314 177.584 -0.294 0.000 1.163 29 A CA 1.048 52.974 52.037 -0.184 0.000 0.646 29 A CB -0.144 18.759 19.000 -0.162 0.000 0.806 29 A HN 0.126 nan 8.150 nan 0.000 0.448 30 E N -1.337 118.582 120.200 -0.469 0.000 2.106 30 E HA -0.009 4.341 4.350 -0.000 0.000 0.192 30 E C 1.556 177.996 176.600 -0.266 0.000 0.984 30 E CA 1.287 57.383 56.400 -0.508 0.000 0.806 30 E CB -0.100 29.136 29.700 -0.774 0.000 0.750 30 E HN 0.742 nan 8.360 nan 0.000 0.458 31 G N -0.563 108.120 108.800 -0.194 0.000 2.367 31 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.181 31 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.181 31 G C 0.045 174.894 174.900 -0.085 0.000 1.000 31 G CA -0.089 44.941 45.100 -0.116 0.000 0.693 31 G HN 0.095 nan 8.290 nan 0.000 0.480 32 L N 2.993 124.160 121.223 -0.093 0.000 2.388 32 L HA 0.342 4.682 4.340 -0.000 0.000 0.252 32 L C 1.647 178.492 176.870 -0.042 0.000 1.357 32 L CA 1.283 56.093 54.840 -0.050 0.000 1.214 32 L CB -0.757 41.287 42.059 -0.025 0.000 1.392 32 L HN 0.241 nan 8.230 nan 0.000 0.432 33 T N -0.371 114.159 114.554 -0.040 0.000 3.380 33 T HA 0.111 4.461 4.350 -0.000 0.000 0.250 33 T C 1.614 176.288 174.700 -0.043 0.000 1.082 33 T CA 0.655 62.734 62.100 -0.035 0.000 0.968 33 T CB -0.069 68.785 68.868 -0.023 0.000 1.027 33 T HN 0.696 nan 8.240 nan 0.000 0.575 34 G N 0.440 109.212 108.800 -0.046 0.000 2.453 34 G HA2 0.042 4.002 3.960 -0.000 0.000 0.215 34 G HA3 0.042 4.002 3.960 -0.000 0.000 0.215 34 G C 0.715 175.556 174.900 -0.098 0.000 1.147 34 G CA 0.093 45.154 45.100 -0.064 0.000 0.802 34 G HN 0.505 nan 8.290 nan 0.000 0.535 35 T N 2.750 117.261 114.554 -0.072 0.000 2.779 35 T HA 0.361 4.711 4.350 -0.000 0.000 0.296 35 T C 0.241 174.879 174.700 -0.104 0.000 0.938 35 T CA -0.144 61.909 62.100 -0.078 0.000 1.119 35 T CB 1.444 70.293 68.868 -0.031 0.000 0.891 35 T HN 0.021 nan 8.240 nan 0.000 0.526 36 K N 2.708 123.006 120.400 -0.170 0.000 2.632 36 K HA 0.558 4.878 4.320 -0.000 0.000 0.267 36 K C 0.144 176.723 176.600 -0.035 0.000 1.028 36 K CA -0.769 55.396 56.287 -0.203 0.000 1.045 36 K CB 0.827 32.934 32.500 -0.655 0.000 1.400 36 K HN 0.594 nan 8.250 nan 0.000 0.522 37 E N -1.144 119.107 120.200 0.086 0.000 2.292 37 E HA 0.443 4.793 4.350 -0.000 0.000 0.272 37 E C -0.103 176.621 176.600 0.206 0.000 0.881 37 E CA -0.633 55.841 56.400 0.124 0.000 0.754 37 E CB 1.924 31.693 29.700 0.115 0.000 1.201 37 E HN 0.783 nan 8.360 nan 0.000 0.425 38 G N 0.090 108.976 108.800 0.142 0.000 2.989 38 G HA2 0.096 4.056 3.960 -0.000 0.000 0.221 38 G HA3 0.096 4.056 3.960 -0.000 0.000 0.221 38 G C 0.752 175.707 174.900 0.092 0.000 1.050 38 G CA 0.605 45.794 45.100 0.147 0.000 0.913 38 G HN 0.677 nan 8.290 nan 0.000 0.587 39 C N -3.090 116.254 119.300 0.073 0.000 4.895 39 C HA 0.324 4.784 4.460 -0.000 0.000 0.352 39 C C 0.784 175.805 174.990 0.052 0.000 1.840 39 C CA -0.160 58.892 59.018 0.057 0.000 1.791 39 C CB -1.113 26.657 27.740 0.050 0.000 2.406 39 C HN 0.280 nan 8.230 nan 0.000 0.543 40 N N 2.096 120.827 118.700 0.051 0.000 2.707 40 N HA -0.213 4.527 4.740 -0.000 0.000 0.253 40 N C 0.360 175.894 175.510 0.040 0.000 0.998 40 N CA 1.316 54.393 53.050 0.044 0.000 0.751 40 N CB -0.444 38.072 38.487 0.049 0.000 0.920 40 N HN 0.843 nan 8.380 nan 0.000 0.539 41 E N -1.460 118.761 120.200 0.035 0.000 2.665 41 E HA 0.144 4.494 4.350 -0.000 0.000 0.225 41 E C 1.033 177.645 176.600 0.021 0.000 0.922 41 E CA 0.467 56.886 56.400 0.032 0.000 1.242 41 E CB 0.821 30.543 29.700 0.037 0.000 1.197 41 E HN 0.434 nan 8.360 nan 0.000 0.581 42 G N 2.065 110.876 108.800 0.019 0.000 2.136 42 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.242 42 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.242 42 G C 0.372 175.277 174.900 0.009 0.000 0.989 42 G CA 0.637 45.742 45.100 0.010 0.000 0.682 42 G HN 0.203 nan 8.290 nan 0.000 0.522 43 D N -0.775 119.636 120.400 0.018 0.000 2.305 43 D HA 0.102 4.742 4.640 -0.000 0.000 0.206 43 D C 2.269 178.583 176.300 0.023 0.000 0.974 43 D CA 1.267 55.278 54.000 0.020 0.000 0.871 43 D CB -0.116 40.700 40.800 0.027 0.000 0.947 43 D HN 0.892 nan 8.370 nan 0.000 0.516 44 C N -2.449 116.865 119.300 0.024 0.000 3.512 44 C HA 0.684 5.144 4.460 -0.000 0.000 0.276 44 C C 1.790 176.778 174.990 -0.004 0.000 1.592 44 C CA 0.017 59.054 59.018 0.032 0.000 1.803 44 C CB -0.026 27.755 27.740 0.069 0.000 2.996 44 C HN 0.282 nan 8.230 nan 0.000 0.590 45 G N 1.444 110.223 108.800 -0.035 0.000 2.216 45 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.269 45 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.269 45 G C 1.320 176.172 174.900 -0.080 0.000 0.981 45 G CA 0.845 45.894 45.100 -0.085 0.000 0.658 45 G HN 1.679 nan 8.290 nan 0.000 0.539 46 A N -0.469 122.335 122.820 -0.027 0.000 2.234 46 A HA 0.157 4.477 4.320 -0.000 0.000 0.216 46 A C 2.208 179.749 177.584 -0.073 0.000 1.167 46 A CA 2.216 54.236 52.037 -0.029 0.000 0.698 46 A CB -0.801 18.226 19.000 0.045 0.000 0.779 46 A HN 1.858 nan 8.150 nan 0.000 0.475 47 C N -3.069 116.199 119.300 -0.052 0.000 3.098 47 C HA 0.393 4.853 4.460 -0.000 0.000 0.265 47 C C 0.515 175.477 174.990 -0.045 0.000 1.572 47 C CA -0.432 58.557 59.018 -0.049 0.000 1.788 47 C CB -1.636 26.090 27.740 -0.024 0.000 2.982 47 C HN 0.245 nan 8.230 nan 0.000 0.532 48 T N 3.286 117.805 114.554 -0.058 0.000 2.792 48 T HA 0.360 4.710 4.350 -0.000 0.000 0.286 48 T C 0.554 175.227 174.700 -0.045 0.000 0.970 48 T CA 0.787 62.853 62.100 -0.057 0.000 1.187 48 T CB 0.223 69.043 68.868 -0.080 0.000 0.915 48 T HN 0.910 nan 8.240 nan 0.000 0.529 49 V N 1.891 121.782 119.914 -0.038 0.000 3.096 49 V HA 0.742 4.862 4.120 -0.000 0.000 0.319 49 V C -0.244 175.829 176.094 -0.034 0.000 1.103 49 V CA -1.448 60.834 62.300 -0.030 0.000 1.016 49 V CB 2.099 33.907 31.823 -0.025 0.000 1.090 49 V HN 0.840 nan 8.190 nan 0.000 0.449 50 M N 3.447 123.031 119.600 -0.027 0.000 2.294 50 M HA 0.716 5.196 4.480 -0.000 0.000 0.335 50 M C -1.052 175.228 176.300 -0.032 0.000 1.079 50 M CA -0.777 54.507 55.300 -0.027 0.000 0.982 50 M CB 1.441 34.030 32.600 -0.019 0.000 1.651 50 M HN 0.905 nan 8.290 nan 0.000 0.437 51 I N 1.363 121.909 120.570 -0.040 0.000 2.740 51 I HA 0.730 4.900 4.170 -0.000 0.000 0.303 51 I C -1.163 174.933 176.117 -0.034 0.000 1.044 51 I CA -0.907 60.364 61.300 -0.048 0.000 1.064 51 I CB 2.174 40.130 38.000 -0.073 0.000 1.249 51 I HN 0.801 nan 8.210 nan 0.000 0.433 52 R N 3.016 123.500 120.500 -0.027 0.000 2.564 52 R HA 0.442 4.782 4.340 -0.000 0.000 0.284 52 R C -1.903 174.404 176.300 0.012 0.000 1.031 52 R CA -0.337 55.758 56.100 -0.008 0.000 0.904 52 R CB 1.795 32.095 30.300 0.000 0.000 1.199 52 R HN 1.001 nan 8.270 nan 0.000 0.443 53 D N 2.780 123.189 120.400 0.015 0.000 2.837 53 D HA 0.222 4.862 4.640 -0.000 0.000 0.294 53 D C 0.490 176.809 176.300 0.032 0.000 1.158 53 D CA -0.328 53.694 54.000 0.037 0.000 1.073 53 D CB 0.424 41.229 40.800 0.009 0.000 1.419 53 D HN 0.390 nan 8.370 nan 0.000 0.584 54 A N -0.406 122.430 122.820 0.028 0.000 2.125 54 A HA 0.157 4.477 4.320 -0.000 0.000 0.219 54 A C 1.926 179.509 177.584 -0.001 0.000 1.156 54 A CA 2.329 54.374 52.037 0.014 0.000 0.671 54 A CB -1.002 18.002 19.000 0.007 0.000 0.794 54 A HN 0.628 nan 8.150 nan 0.000 0.459 55 A N -1.654 121.159 122.820 -0.010 0.000 1.903 55 A HA 0.500 4.820 4.320 -0.000 0.000 0.213 55 A C 1.397 178.970 177.584 -0.017 0.000 1.185 55 A CA 1.637 53.662 52.037 -0.020 0.000 0.628 55 A CB -0.400 18.579 19.000 -0.034 0.000 0.830 55 A HN 1.780 nan 8.150 nan 0.000 0.446 56 G N -1.573 107.219 108.800 -0.013 0.000 2.350 56 G HA2 0.403 4.363 3.960 -0.000 0.000 0.276 56 G HA3 0.403 4.363 3.960 -0.000 0.000 0.276 56 G C -0.585 174.307 174.900 -0.014 0.000 1.313 56 G CA -0.059 45.033 45.100 -0.012 0.000 0.903 56 G HN 1.118 nan 8.290 nan 0.000 0.490 57 S N -0.552 115.140 115.700 -0.014 0.000 2.462 57 S HA 0.867 5.337 4.470 -0.000 0.000 0.294 57 S C -0.158 174.431 174.600 -0.018 0.000 1.144 57 S CA -0.561 57.630 58.200 -0.014 0.000 1.088 57 S CB 2.022 65.216 63.200 -0.010 0.000 1.009 57 S HN 0.784 nan 8.310 nan 0.000 0.484 58 R N 0.686 121.173 120.500 -0.023 0.000 2.725 58 R HA 0.740 5.080 4.340 -0.000 0.000 0.277 58 R C -1.212 175.072 176.300 -0.027 0.000 0.987 58 R CA -0.729 55.355 56.100 -0.026 0.000 0.901 58 R CB 2.315 32.594 30.300 -0.035 0.000 1.207 58 R HN 0.828 nan 8.270 nan 0.000 0.463 59 A N 1.987 124.793 122.820 -0.024 0.000 2.288 59 A HA 0.683 5.003 4.320 -0.000 0.000 0.320 59 A C -0.394 177.171 177.584 -0.033 0.000 1.217 59 A CA -0.559 51.461 52.037 -0.028 0.000 0.840 59 A CB 0.734 19.720 19.000 -0.023 0.000 1.179 59 A HN 0.495 nan 8.150 nan 0.000 0.504 60 V N 0.451 120.341 119.914 -0.039 0.000 3.130 60 V HA 0.552 4.672 4.120 -0.000 0.000 0.310 60 V C -0.502 175.568 176.094 -0.041 0.000 1.158 60 V CA -1.496 60.781 62.300 -0.040 0.000 1.029 60 V CB 1.856 33.651 31.823 -0.047 0.000 1.057 60 V HN 0.792 nan 8.190 nan 0.000 0.436 61 N N 1.185 119.865 118.700 -0.034 0.000 2.497 61 N HA 0.330 5.070 4.740 -0.000 0.000 0.268 61 N C 1.000 176.490 175.510 -0.033 0.000 1.171 61 N CA 0.328 53.360 53.050 -0.030 0.000 0.948 61 N CB 2.038 40.514 38.487 -0.019 0.000 1.069 61 N HN 1.008 nan 8.380 nan 0.000 0.460 62 A N 1.483 124.287 122.820 -0.027 0.000 1.970 62 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 62 A C 2.214 179.790 177.584 -0.014 0.000 1.170 62 A CA 0.859 52.881 52.037 -0.025 0.000 0.645 62 A CB -0.510 18.484 19.000 -0.010 0.000 0.816 62 A HN 0.908 nan 8.150 nan 0.000 0.447 63 C N -1.981 117.317 119.300 -0.004 0.000 2.594 63 C HA 0.411 4.871 4.460 -0.000 0.000 0.265 63 C C 2.090 177.080 174.990 -0.001 0.000 1.351 63 C CA 0.254 59.276 59.018 0.008 0.000 1.744 63 C CB -1.457 26.295 27.740 0.020 0.000 1.890 63 C HN 0.422 nan 8.230 nan 0.000 0.551 64 L N -0.004 121.211 121.223 -0.012 0.000 2.416 64 L HA 0.268 4.608 4.340 -0.000 0.000 0.216 64 L C 1.345 178.198 176.870 -0.028 0.000 1.098 64 L CA 0.207 55.035 54.840 -0.020 0.000 0.840 64 L CB -0.228 41.821 42.059 -0.018 0.000 0.981 64 L HN 0.342 nan 8.230 nan 0.000 0.462 65 M N 0.948 120.524 119.600 -0.041 0.000 2.211 65 M HA 0.310 4.790 4.480 -0.000 0.000 0.356 65 M C -0.396 175.857 176.300 -0.077 0.000 1.216 65 M CA 0.420 55.679 55.300 -0.068 0.000 1.134 65 M CB 0.919 33.461 32.600 -0.098 0.000 1.564 65 M HN -0.065 nan 8.290 nan 0.000 0.463 66 M N 4.283 123.826 119.600 -0.095 0.000 2.528 66 M HA 0.253 4.733 4.480 -0.000 0.000 0.318 66 M C 0.701 176.827 176.300 -0.289 0.000 1.195 66 M CA -0.586 54.640 55.300 -0.122 0.000 1.000 66 M CB 1.537 34.147 32.600 0.017 0.000 1.615 66 M HN 0.853 nan 8.290 nan 0.000 0.469 67 L N 1.950 122.990 121.223 -0.305 0.000 2.012 67 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 67 L C -0.672 175.911 176.870 -0.479 0.000 1.073 67 L CA 1.780 56.361 54.840 -0.432 0.000 0.748 67 L CB -1.090 40.713 42.059 -0.427 0.000 0.891 67 L HN 0.560 nan 8.230 nan 0.000 0.431 68 P HA -0.141 nan 4.420 nan 0.000 0.236 68 P C 0.948 177.938 177.300 -0.517 0.000 1.172 68 P CA 1.035 63.788 63.100 -0.578 0.000 0.759 68 P CB 0.046 31.261 31.700 -0.808 0.000 0.843 69 Q N -0.772 118.734 119.800 -0.490 0.000 2.339 69 Q HA 0.088 4.428 4.340 -0.000 0.000 0.205 69 Q C 1.821 177.702 176.000 -0.198 0.000 0.925 69 Q CA 0.499 56.134 55.803 -0.280 0.000 0.898 69 Q CB -0.153 28.405 28.738 -0.299 0.000 1.013 69 Q HN 0.388 nan 8.270 nan 0.000 0.504 70 I N -2.030 118.362 120.570 -0.296 0.000 3.564 70 I HA 0.243 4.413 4.170 -0.000 0.000 0.294 70 I C 0.638 176.664 176.117 -0.152 0.000 1.289 70 I CA -0.488 60.637 61.300 -0.292 0.000 1.325 70 I CB -0.210 37.462 38.000 -0.546 0.000 1.039 70 I HN -0.203 nan 8.210 nan 0.000 0.474 71 A N 1.993 124.764 122.820 -0.082 0.000 2.545 71 A HA 0.417 4.737 4.320 -0.000 0.000 0.253 71 A C 1.549 179.216 177.584 0.139 0.000 1.074 71 A CA 0.687 52.742 52.037 0.031 0.000 0.760 71 A CB -0.720 18.229 19.000 -0.085 0.000 1.005 71 A HN 0.985 nan 8.150 nan 0.000 0.506 72 G N 2.251 111.185 108.800 0.224 0.000 2.241 72 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.244 72 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.244 72 G C 0.500 175.614 174.900 0.357 0.000 0.998 72 G CA 0.573 45.844 45.100 0.285 0.000 0.621 72 G HN 0.787 nan 8.290 nan 0.000 0.519 73 K N 0.433 120.952 120.400 0.199 0.000 2.362 73 K HA 0.743 5.063 4.320 -0.000 0.000 0.245 73 K C 0.118 176.708 176.600 -0.015 0.000 1.040 73 K CA 0.143 56.485 56.287 0.092 0.000 0.961 73 K CB 0.980 33.471 32.500 -0.015 0.000 1.252 73 K HN 0.894 nan 8.250 nan 0.000 0.503 74 A N 1.507 124.289 122.820 -0.064 0.000 2.360 74 A HA 0.344 4.664 4.320 -0.000 0.000 0.309 74 A C -0.944 176.599 177.584 -0.068 0.000 1.311 74 A CA -0.656 51.290 52.037 -0.152 0.000 0.805 74 A CB 0.206 19.134 19.000 -0.120 0.000 1.144 74 A HN 0.466 nan 8.150 nan 0.000 0.486 75 L N 2.015 123.221 121.223 -0.029 0.000 2.326 75 L HA 0.765 5.105 4.340 -0.000 0.000 0.278 75 L C 0.046 176.933 176.870 0.027 0.000 1.092 75 L CA 0.101 54.940 54.840 -0.002 0.000 0.810 75 L CB 0.912 42.981 42.059 0.017 0.000 1.153 75 L HN 0.652 nan 8.230 nan 0.000 0.439 76 R N 1.985 122.495 120.500 0.018 0.000 2.514 76 R HA 0.599 4.939 4.340 -0.000 0.000 0.296 76 R C -0.743 175.574 176.300 0.029 0.000 1.012 76 R CA -0.117 56.004 56.100 0.036 0.000 0.897 76 R CB 1.442 31.762 30.300 0.033 0.000 1.184 76 R HN 0.877 nan 8.270 nan 0.000 0.440 77 T N 0.479 115.058 114.554 0.042 0.000 2.910 77 T HA 0.260 4.610 4.350 -0.000 0.000 0.279 77 T C 1.245 175.958 174.700 0.023 0.000 0.989 77 T CA -0.712 61.405 62.100 0.028 0.000 0.968 77 T CB 0.805 69.695 68.868 0.038 0.000 1.135 77 T HN 0.423 nan 8.240 nan 0.000 0.562 78 I N 1.524 122.098 120.570 0.005 0.000 2.118 78 I HA -0.194 3.976 4.170 -0.000 0.000 0.241 78 I C 2.265 178.393 176.117 0.018 0.000 1.070 78 I CA 1.876 63.177 61.300 0.003 0.000 1.327 78 I CB -0.720 37.269 38.000 -0.018 0.000 1.034 78 I HN 0.849 nan 8.210 nan 0.000 0.405 79 E N -0.098 120.110 120.200 0.015 0.000 2.533 79 E HA -0.045 4.305 4.350 -0.000 0.000 0.201 79 E C 1.357 177.978 176.600 0.034 0.000 1.097 79 E CA 0.860 57.270 56.400 0.017 0.000 0.887 79 E CB -0.664 29.039 29.700 0.005 0.000 0.855 79 E HN 0.649 nan 8.360 nan 0.000 0.540 80 G N 0.533 109.368 108.800 0.057 0.000 3.979 80 G HA2 0.190 4.149 3.960 -0.000 0.000 0.287 80 G HA3 0.190 4.149 3.960 -0.000 0.000 0.287 80 G C 1.005 176.002 174.900 0.162 0.000 1.011 80 G CA -0.339 44.815 45.100 0.090 0.000 0.818 80 G HN 0.048 nan 8.290 nan 0.000 0.470 81 I N 1.435 122.101 120.570 0.159 0.000 2.585 81 I HA 0.185 4.355 4.170 -0.000 0.000 0.254 81 I C 1.835 178.237 176.117 0.475 0.000 1.129 81 I CA 0.364 61.816 61.300 0.252 0.000 1.455 81 I CB -0.664 37.389 38.000 0.088 0.000 1.111 81 I HN 0.158 nan 8.210 nan 0.000 0.433 82 A N 1.597 124.571 122.820 0.256 0.000 2.440 82 A HA 0.531 4.851 4.320 -0.000 0.000 0.251 82 A C 0.741 178.211 177.584 -0.191 0.000 1.089 82 A CA -0.005 52.114 52.037 0.138 0.000 0.779 82 A CB -0.014 19.001 19.000 0.026 0.000 1.022 82 A HN 0.333 nan 8.150 nan 0.000 0.492 83 A N 4.152 126.476 122.820 -0.828 0.000 2.586 83 A HA 0.329 4.649 4.320 -0.000 0.000 0.231 83 A C -1.074 176.090 177.584 -0.700 0.000 1.055 83 A CA -0.141 50.912 52.037 -1.640 0.000 0.756 83 A CB -0.471 17.425 19.000 -1.839 0.000 0.988 83 A HN 0.663 nan 8.150 nan 0.000 0.509 84 P HA -0.164 nan 4.420 nan 0.000 0.216 84 P C 0.505 177.678 177.300 -0.211 0.000 1.150 84 P CA 1.778 64.727 63.100 -0.252 0.000 0.837 84 P CB -0.120 31.485 31.700 -0.160 0.000 0.786 85 D N -2.192 118.061 120.400 -0.245 0.000 2.358 85 D HA 0.117 4.757 4.640 -0.000 0.000 0.241 85 D C 1.390 177.592 176.300 -0.163 0.000 1.094 85 D CA 0.712 54.609 54.000 -0.171 0.000 0.907 85 D CB -0.931 39.780 40.800 -0.149 0.000 0.893 85 D HN 0.254 nan 8.370 nan 0.000 0.528 86 G N -0.056 108.630 108.800 -0.190 0.000 2.258 86 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.233 86 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.233 86 G C 0.500 175.309 174.900 -0.151 0.000 1.006 86 G CA -0.122 44.893 45.100 -0.143 0.000 0.620 86 G HN 0.554 nan 8.290 nan 0.000 0.511 87 R N 0.588 120.964 120.500 -0.207 0.000 2.756 87 R HA 0.505 4.845 4.340 -0.000 0.000 0.264 87 R C 1.106 177.315 176.300 -0.151 0.000 1.026 87 R CA -0.036 55.958 56.100 -0.176 0.000 1.121 87 R CB 0.065 30.239 30.300 -0.210 0.000 0.999 87 R HN 0.349 nan 8.270 nan 0.000 0.449 88 L N 1.252 122.454 121.223 -0.035 0.000 2.600 88 L HA 0.247 4.587 4.340 -0.000 0.000 0.221 88 L C 0.681 177.678 176.870 0.212 0.000 1.197 88 L CA -0.579 54.299 54.840 0.063 0.000 0.838 88 L CB 0.257 42.351 42.059 0.058 0.000 1.474 88 L HN 0.576 nan 8.230 nan 0.000 0.514 89 H N 0.113 119.287 119.070 0.174 0.000 2.472 89 H HA 0.212 4.768 4.556 -0.000 0.000 0.338 89 H C -2.046 173.311 175.328 0.048 0.000 1.133 89 H CA -1.995 54.178 56.048 0.209 0.000 1.216 89 H CB 2.305 32.160 29.762 0.155 0.000 1.497 89 H HN 0.187 nan 8.280 nan 0.000 0.500 90 P HA -0.219 nan 4.420 nan 0.000 0.218 90 P C 1.684 179.029 177.300 0.076 0.000 1.154 90 P CA 1.098 64.172 63.100 -0.043 0.000 0.872 90 P CB 0.325 31.879 31.700 -0.245 0.000 0.790 91 V N -0.785 119.272 119.914 0.238 0.000 2.343 91 V HA -0.273 3.847 4.120 -0.000 0.000 0.247 91 V C 2.549 178.675 176.094 0.053 0.000 1.051 91 V CA 1.848 64.187 62.300 0.064 0.000 1.036 91 V CB -1.057 30.697 31.823 -0.114 0.000 0.654 91 V HN 0.193 nan 8.190 nan 0.000 0.451 92 Q N -1.166 118.696 119.800 0.103 0.000 2.016 92 Q HA -0.212 4.128 4.340 -0.000 0.000 0.200 92 Q C 2.493 178.520 176.000 0.046 0.000 0.978 92 Q CA 1.384 57.228 55.803 0.069 0.000 0.833 92 Q CB -0.236 28.565 28.738 0.105 0.000 0.895 92 Q HN 0.516 nan 8.270 nan 0.000 0.427 93 Q N 0.197 120.030 119.800 0.055 0.000 2.077 93 Q HA -0.204 4.136 4.340 -0.000 0.000 0.206 93 Q C 2.138 178.147 176.000 0.015 0.000 0.989 93 Q CA 1.663 57.479 55.803 0.021 0.000 0.853 93 Q CB -0.476 28.276 28.738 0.024 0.000 0.907 93 Q HN 0.400 nan 8.270 nan 0.000 0.418 94 A N 0.891 123.744 122.820 0.055 0.000 1.903 94 A HA -0.227 4.093 4.320 -0.000 0.000 0.219 94 A C 2.062 179.713 177.584 0.111 0.000 1.191 94 A CA 2.066 54.178 52.037 0.123 0.000 0.638 94 A CB -0.544 18.514 19.000 0.097 0.000 0.823 94 A HN 0.330 nan 8.150 nan 0.000 0.451 95 M N -0.953 118.667 119.600 0.034 0.000 2.374 95 M HA 0.008 4.488 4.480 -0.000 0.000 0.264 95 M C 1.989 178.261 176.300 -0.047 0.000 1.067 95 M CA 0.988 56.288 55.300 -0.000 0.000 1.103 95 M CB -0.935 31.655 32.600 -0.018 0.000 1.402 95 M HN 0.465 nan 8.290 nan 0.000 0.444 96 I N 0.426 120.952 120.570 -0.072 0.000 2.235 96 I HA -0.267 3.903 4.170 -0.000 0.000 0.241 96 I C 1.940 177.877 176.117 -0.300 0.000 1.085 96 I CA 1.152 62.371 61.300 -0.136 0.000 1.378 96 I CB -0.468 37.478 38.000 -0.091 0.000 1.076 96 I HN 0.290 nan 8.210 nan 0.000 0.415 97 D N -0.241 119.982 120.400 -0.295 0.000 2.183 97 D HA -0.154 4.486 4.640 -0.000 0.000 0.203 97 D C 1.552 177.489 176.300 -0.604 0.000 0.969 97 D CA 1.136 54.863 54.000 -0.455 0.000 0.842 97 D CB -0.383 40.175 40.800 -0.404 0.000 0.957 97 D HN 0.503 nan 8.370 nan 0.000 0.484 98 H N 0.294 119.229 119.070 -0.225 0.000 2.539 98 H HA 0.041 4.597 4.556 -0.000 0.000 0.269 98 H C 0.046 175.381 175.328 0.011 0.000 0.980 98 H CA 0.272 56.276 56.048 -0.074 0.000 1.152 98 H CB 0.027 29.767 29.762 -0.036 0.000 1.407 98 H HN 0.341 nan 8.280 nan 0.000 0.564 99 H N -0.837 118.254 119.070 0.034 0.000 2.756 99 H HA -0.113 4.443 4.556 -0.000 0.000 0.315 99 H C 1.328 176.642 175.328 -0.024 0.000 1.210 99 H CA 0.614 56.661 56.048 -0.002 0.000 1.150 99 H CB -1.813 27.944 29.762 -0.008 0.000 1.463 99 H HN 0.517 nan 8.280 nan 0.000 0.427 100 G N 0.094 108.908 108.800 0.024 0.000 3.210 100 G HA2 0.192 4.152 3.960 -0.000 0.000 0.220 100 G HA3 0.192 4.152 3.960 -0.000 0.000 0.220 100 G C 0.398 175.237 174.900 -0.103 0.000 1.200 100 G CA 0.715 45.775 45.100 -0.067 0.000 0.834 100 G HN 0.358 nan 8.290 nan 0.000 0.524 101 S N -1.239 114.439 115.700 -0.037 0.000 2.614 101 S HA 0.494 4.963 4.470 -0.000 0.000 0.288 101 S C 0.276 174.877 174.600 0.002 0.000 1.137 101 S CA -0.617 57.568 58.200 -0.024 0.000 0.992 101 S CB 1.995 65.192 63.200 -0.005 0.000 1.026 101 S HN 0.286 nan 8.310 nan 0.000 0.486 102 Q N 1.491 121.289 119.800 -0.003 0.000 2.642 102 Q HA 0.103 4.443 4.340 -0.000 0.000 0.202 102 Q C 2.115 178.128 176.000 0.020 0.000 0.845 102 Q CA 0.970 56.776 55.803 0.005 0.000 0.873 102 Q CB -0.148 28.581 28.738 -0.016 0.000 1.190 102 Q HN 0.964 nan 8.270 nan 0.000 0.642 103 C N -1.590 117.729 119.300 0.031 0.000 2.485 103 C HA 0.514 4.974 4.460 -0.000 0.000 0.278 103 C C 1.734 176.779 174.990 0.092 0.000 1.356 103 C CA 0.535 59.585 59.018 0.054 0.000 1.747 103 C CB -0.300 27.470 27.740 0.050 0.000 2.001 103 C HN 0.776 nan 8.230 nan 0.000 0.501 104 G N -0.359 108.501 108.800 0.100 0.000 2.232 104 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.226 104 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.226 104 G C 0.487 175.472 174.900 0.142 0.000 0.996 104 G CA 0.444 45.604 45.100 0.100 0.000 0.626 104 G HN 0.479 nan 8.290 nan 0.000 0.509 105 F N 1.843 121.814 119.950 0.035 0.000 2.161 105 F HA -0.098 4.429 4.527 -0.000 0.000 0.300 105 F C 2.869 178.712 175.800 0.071 0.000 1.089 105 F CA 2.789 60.816 58.000 0.044 0.000 1.282 105 F CB -0.227 38.795 39.000 0.036 0.000 1.010 105 F HN 0.643 nan 8.300 nan 0.000 0.485 106 C N -1.986 117.449 119.300 0.224 0.000 2.563 106 C HA 0.096 4.556 4.460 -0.000 0.000 0.268 106 C C 2.474 177.614 174.990 0.251 0.000 1.365 106 C CA 0.682 59.835 59.018 0.226 0.000 1.754 106 C CB -1.464 26.486 27.740 0.349 0.000 1.932 106 C HN 0.372 nan 8.230 nan 0.000 0.536 107 T N 2.892 117.549 114.554 0.172 0.000 2.759 107 T HA -0.058 4.292 4.350 -0.000 0.000 0.269 107 T C -0.407 174.355 174.700 0.105 0.000 1.042 107 T CA 2.358 64.548 62.100 0.149 0.000 1.140 107 T CB -1.174 67.733 68.868 0.064 0.000 0.864 107 T HN 0.477 nan 8.240 nan 0.000 0.455 108 P HA -0.042 nan 4.420 nan 0.000 0.215 108 P C 1.783 179.080 177.300 -0.005 0.000 1.153 108 P CA 1.131 64.222 63.100 -0.015 0.000 0.853 108 P CB -0.484 31.164 31.700 -0.086 0.000 0.788 109 G N -1.194 107.602 108.800 -0.008 0.000 2.459 109 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.217 109 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.217 109 G C 1.335 176.201 174.900 -0.055 0.000 1.183 109 G CA 0.561 45.631 45.100 -0.050 0.000 0.776 109 G HN 0.161 nan 8.290 nan 0.000 0.552 110 F N 0.643 120.595 119.950 0.003 0.000 2.075 110 F HA -0.022 4.505 4.527 0.000 0.000 0.297 110 F C 2.739 178.528 175.800 -0.019 0.000 1.113 110 F CA 0.727 58.734 58.000 0.011 0.000 1.218 110 F CB -0.141 38.875 39.000 0.026 0.000 0.984 110 F HN -0.008 nan 8.300 nan 0.000 0.472 111 I N -0.269 120.395 120.570 0.156 0.000 2.118 111 I HA -0.289 3.881 4.170 -0.000 0.000 0.241 111 I C 2.437 178.536 176.117 -0.030 0.000 1.070 111 I CA 1.419 62.741 61.300 0.036 0.000 1.327 111 I CB -1.362 36.645 38.000 0.011 0.000 1.034 111 I HN -0.014 nan 8.210 nan 0.000 0.405 112 V N 0.005 119.906 119.914 -0.023 0.000 2.295 112 V HA -0.257 3.863 4.120 -0.000 0.000 0.246 112 V C 2.716 178.789 176.094 -0.036 0.000 1.049 112 V CA 2.047 64.321 62.300 -0.043 0.000 1.024 112 V CB -0.647 31.156 31.823 -0.033 0.000 0.648 112 V HN 0.418 nan 8.190 nan 0.000 0.447 113 S N -1.014 114.670 115.700 -0.027 0.000 2.382 113 S HA -0.211 4.259 4.470 -0.000 0.000 0.228 113 S C 2.000 176.618 174.600 0.031 0.000 1.027 113 S CA 1.901 60.089 58.200 -0.019 0.000 0.991 113 S CB -0.252 62.903 63.200 -0.074 0.000 0.823 113 S HN 0.487 nan 8.310 nan 0.000 0.469 114 M N 0.526 120.156 119.600 0.049 0.000 2.123 114 M HA -0.014 4.466 4.480 -0.000 0.000 0.263 114 M C 2.476 178.808 176.300 0.053 0.000 1.069 114 M CA 1.446 56.790 55.300 0.074 0.000 1.133 114 M CB -0.496 32.133 32.600 0.049 0.000 1.356 114 M HN 0.466 nan 8.290 nan 0.000 0.415 115 A N 0.350 123.127 122.820 -0.072 0.000 1.933 115 A HA -0.067 4.253 4.320 -0.000 0.000 0.218 115 A C 2.313 179.905 177.584 0.014 0.000 1.175 115 A CA 1.847 53.793 52.037 -0.152 0.000 0.628 115 A CB -0.881 17.863 19.000 -0.428 0.000 0.814 115 A HN 0.510 nan 8.150 nan 0.000 0.444 116 A N 0.043 122.868 122.820 0.008 0.000 1.865 116 A HA 0.112 4.432 4.320 -0.000 0.000 0.217 116 A C 2.540 180.158 177.584 0.056 0.000 1.191 116 A CA 2.272 54.324 52.037 0.023 0.000 0.623 116 A CB -1.144 17.859 19.000 0.006 0.000 0.826 116 A HN 1.106 nan 8.150 nan 0.000 0.444 117 A N -1.534 121.339 122.820 0.089 0.000 1.902 117 A HA -0.243 4.077 4.320 -0.000 0.000 0.217 117 A C 2.158 179.825 177.584 0.139 0.000 1.181 117 A CA 1.813 53.920 52.037 0.117 0.000 0.623 117 A CB -0.952 18.164 19.000 0.193 0.000 0.818 117 A HN 0.749 nan 8.150 nan 0.000 0.443 118 H N -0.648 118.474 119.070 0.088 0.000 2.423 118 H HA -0.136 4.420 4.556 -0.000 0.000 0.297 118 H C 1.724 177.086 175.328 0.056 0.000 1.075 118 H CA 1.862 57.969 56.048 0.098 0.000 1.342 118 H CB -0.065 29.782 29.762 0.141 0.000 1.395 118 H HN 0.505 nan 8.280 nan 0.000 0.530 119 D N 0.414 120.895 120.400 0.135 0.000 2.144 119 D HA -0.084 4.556 4.640 -0.000 0.000 0.200 119 D C 1.835 178.124 176.300 -0.018 0.000 0.978 119 D CA 0.784 54.815 54.000 0.051 0.000 0.833 119 D CB -0.082 40.742 40.800 0.040 0.000 0.961 119 D HN 0.211 nan 8.370 nan 0.000 0.470 120 R N -0.076 120.417 120.500 -0.013 0.000 2.388 120 R HA 0.046 4.386 4.340 -0.000 0.000 0.247 120 R C -0.152 176.118 176.300 -0.050 0.000 0.931 120 R CA 0.198 56.281 56.100 -0.030 0.000 1.082 120 R CB 0.245 30.534 30.300 -0.019 0.000 1.135 120 R HN -0.007 nan 8.270 nan 0.000 0.525 121 D N 0.930 121.282 120.400 -0.080 0.000 2.751 121 D HA -0.200 4.440 4.640 -0.000 0.000 0.233 121 D C -0.662 175.599 176.300 -0.065 0.000 1.149 121 D CA 0.871 54.811 54.000 -0.101 0.000 0.682 121 D CB -0.540 40.200 40.800 -0.101 0.000 1.068 121 D HN 0.104 nan 8.370 nan 0.000 0.429 122 R N 0.162 120.638 120.500 -0.039 0.000 2.410 122 R HA 0.426 4.766 4.340 -0.000 0.000 0.288 122 R C 1.355 177.570 176.300 -0.142 0.000 1.051 122 R CA -0.044 56.015 56.100 -0.069 0.000 1.021 122 R CB 0.730 31.007 30.300 -0.039 0.000 1.032 122 R HN 0.028 nan 8.270 nan 0.000 0.481 123 K N 1.100 121.311 120.400 -0.316 0.000 2.440 123 K HA 0.058 4.378 4.320 -0.000 0.000 0.207 123 K C -0.622 175.367 176.600 -1.018 0.000 1.112 123 K CA 0.029 55.874 56.287 -0.738 0.000 1.036 123 K CB 0.747 33.019 32.500 -0.380 0.000 0.935 123 K HN 0.660 nan 8.250 nan 0.000 0.564 124 D N 1.221 121.314 120.400 -0.513 0.000 2.600 124 D HA -0.053 4.587 4.640 -0.000 0.000 0.226 124 D C 0.346 176.523 176.300 -0.205 0.000 1.119 124 D CA -0.105 53.707 54.000 -0.315 0.000 1.051 124 D CB -0.393 40.315 40.800 -0.154 0.000 1.106 124 D HN 0.217 nan 8.370 nan 0.000 0.491 125 Y N 0.246 120.559 120.300 0.021 0.000 2.352 125 Y HA -0.120 4.430 4.550 -0.000 0.000 0.292 125 Y C 1.805 177.723 175.900 0.030 0.000 1.136 125 Y CA 0.348 58.472 58.100 0.039 0.000 1.227 125 Y CB 0.094 38.588 38.460 0.056 0.000 0.991 125 Y HN 0.169 nan 8.280 nan 0.000 0.545 126 D N -0.084 120.390 120.400 0.123 0.000 2.312 126 D HA -0.113 4.527 4.640 -0.000 0.000 0.211 126 D C 1.047 177.364 176.300 0.028 0.000 0.964 126 D CA 1.063 55.097 54.000 0.056 0.000 0.877 126 D CB -0.042 40.775 40.800 0.029 0.000 0.924 126 D HN 0.452 nan 8.370 nan 0.000 0.515 127 D N -0.727 119.688 120.400 0.026 0.000 2.525 127 D HA 0.002 4.642 4.640 -0.000 0.000 0.248 127 D C 2.107 178.421 176.300 0.024 0.000 1.000 127 D CA -0.162 53.847 54.000 0.016 0.000 0.923 127 D CB 0.014 40.814 40.800 -0.000 0.000 1.101 127 D HN 0.018 nan 8.370 nan 0.000 0.493 128 L N 0.758 122.004 121.223 0.038 0.000 1.989 128 L HA -0.064 4.276 4.340 -0.000 0.000 0.211 128 L C 2.007 178.904 176.870 0.045 0.000 1.071 128 L CA 1.565 56.436 54.840 0.052 0.000 0.749 128 L CB -0.790 41.330 42.059 0.101 0.000 0.890 128 L HN 0.041 nan 8.230 nan 0.000 0.431 129 L N -1.394 119.878 121.223 0.082 0.000 2.653 129 L HA 0.189 4.529 4.340 -0.000 0.000 0.231 129 L C 2.173 179.034 176.870 -0.016 0.000 1.153 129 L CA 0.167 55.030 54.840 0.038 0.000 0.933 129 L CB -0.577 41.610 42.059 0.213 0.000 1.175 129 L HN 0.128 nan 8.230 nan 0.000 0.473 130 A N 0.952 123.765 122.820 -0.011 0.000 1.908 130 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 130 A C 2.415 179.975 177.584 -0.040 0.000 1.181 130 A CA 1.831 53.850 52.037 -0.030 0.000 0.627 130 A CB -0.966 18.033 19.000 -0.003 0.000 0.818 130 A HN 0.438 nan 8.150 nan 0.000 0.445 131 G N 0.283 109.053 108.800 -0.051 0.000 2.476 131 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.218 131 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.218 131 G C 0.522 175.352 174.900 -0.117 0.000 1.164 131 G CA 0.861 45.923 45.100 -0.064 0.000 0.768 131 G HN 0.660 nan 8.290 nan 0.000 0.560 132 N N 0.782 119.323 118.700 -0.265 0.000 2.402 132 N HA 0.456 5.196 4.740 -0.000 0.000 0.252 132 N C -0.584 174.802 175.510 -0.207 0.000 1.118 132 N CA -0.311 52.445 53.050 -0.491 0.000 0.945 132 N CB 1.245 38.947 38.487 -1.308 0.000 1.147 132 N HN 0.343 nan 8.380 nan 0.000 0.495 133 L N -0.039 121.233 121.223 0.082 0.000 2.325 133 L HA 0.770 5.110 4.340 -0.000 0.000 0.278 133 L C -0.463 176.660 176.870 0.422 0.000 1.023 133 L CA -1.079 53.990 54.840 0.382 0.000 0.811 133 L CB 1.207 43.426 42.059 0.268 0.000 1.249 133 L HN 0.477 nan 8.230 nan 0.000 0.431 134 C N 3.144 122.708 119.300 0.440 0.000 2.441 134 C HA 0.651 5.111 4.460 -0.000 0.000 0.318 134 C C 1.452 176.412 174.990 -0.051 0.000 1.222 134 C CA -0.532 58.573 59.018 0.146 0.000 1.474 134 C CB 1.738 29.464 27.740 -0.022 0.000 2.125 134 C HN 1.065 nan 8.230 nan 0.000 0.479 135 R N 2.465 122.964 120.500 -0.003 0.000 2.127 135 R HA 0.106 4.446 4.340 -0.000 0.000 0.217 135 R C 1.820 178.072 176.300 -0.081 0.000 1.074 135 R CA 1.977 58.062 56.100 -0.025 0.000 0.991 135 R CB -0.889 29.416 30.300 0.007 0.000 0.895 135 R HN 0.913 nan 8.270 nan 0.000 0.450 136 C N -0.889 118.353 119.300 -0.096 0.000 2.543 136 C HA 0.015 4.475 4.460 -0.000 0.000 0.281 136 C C 2.604 177.517 174.990 -0.128 0.000 1.276 136 C CA 1.394 60.358 59.018 -0.090 0.000 1.700 136 C CB -0.780 26.924 27.740 -0.060 0.000 2.093 136 C HN 0.700 nan 8.230 nan 0.000 0.488 137 T N -2.251 112.182 114.554 -0.201 0.000 2.894 137 T HA 0.285 4.635 4.350 -0.000 0.000 0.258 137 T C 1.583 176.180 174.700 -0.172 0.000 1.043 137 T CA 1.737 63.727 62.100 -0.183 0.000 1.141 137 T CB -0.398 68.342 68.868 -0.214 0.000 0.873 137 T HN 1.038 nan 8.240 nan 0.000 0.449 138 G N 0.041 108.673 108.800 -0.281 0.000 2.163 138 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.213 138 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.213 138 G C 0.574 175.478 174.900 0.007 0.000 0.991 138 G CA 0.215 45.240 45.100 -0.125 0.000 0.653 138 G HN 0.597 nan 8.290 nan 0.000 0.518 139 Y N -2.387 117.895 120.300 -0.030 0.000 3.681 139 Y HA -0.399 4.151 4.550 -0.000 0.000 0.406 139 Y C 2.783 178.652 175.900 -0.051 0.000 1.163 139 Y CA 2.533 60.602 58.100 -0.052 0.000 2.338 139 Y CB -1.830 36.648 38.460 0.030 0.000 0.885 139 Y HN 1.256 nan 8.280 nan 0.000 0.491 140 A N 0.108 122.993 122.820 0.108 0.000 1.927 140 A HA -0.214 4.106 4.320 -0.000 0.000 0.220 140 A C -0.217 177.378 177.584 0.018 0.000 1.185 140 A CA 2.481 54.555 52.037 0.061 0.000 0.639 140 A CB -1.635 17.395 19.000 0.049 0.000 0.820 140 A HN 0.498 nan 8.150 nan 0.000 0.451 141 P HA -0.011 nan 4.420 nan 0.000 0.218 141 P C 1.270 178.539 177.300 -0.052 0.000 1.152 141 P CA 0.694 63.795 63.100 0.002 0.000 0.826 141 P CB -0.107 31.605 31.700 0.020 0.000 0.790 142 I N -0.808 119.701 120.570 -0.102 0.000 2.315 142 I HA -0.170 4.000 4.170 -0.000 0.000 0.248 142 I C 2.346 178.384 176.117 -0.133 0.000 1.117 142 I CA 0.944 62.144 61.300 -0.166 0.000 1.404 142 I CB -0.619 37.174 38.000 -0.344 0.000 1.071 142 I HN -0.050 nan 8.210 nan 0.000 0.419 143 L N 1.313 122.492 121.223 -0.072 0.000 2.056 143 L HA -0.172 4.168 4.340 -0.000 0.000 0.207 143 L C 2.676 179.455 176.870 -0.152 0.000 1.078 143 L CA 1.852 56.642 54.840 -0.083 0.000 0.749 143 L CB -0.595 41.476 42.059 0.020 0.000 0.901 143 L HN 0.262 nan 8.230 nan 0.000 0.433 144 R N -0.214 120.191 120.500 -0.158 0.000 2.081 144 R HA -0.135 4.205 4.340 -0.000 0.000 0.235 144 R C 2.324 178.307 176.300 -0.528 0.000 1.131 144 R CA 1.442 57.365 56.100 -0.295 0.000 0.960 144 R CB -0.421 29.731 30.300 -0.246 0.000 0.856 144 R HN 0.483 nan 8.270 nan 0.000 0.436 145 A N 1.358 123.950 122.820 -0.380 0.000 1.877 145 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 145 A C 2.404 179.866 177.584 -0.205 0.000 1.186 145 A CA 1.688 53.579 52.037 -0.243 0.000 0.620 145 A CB -0.704 18.255 19.000 -0.069 0.000 0.822 145 A HN 0.400 nan 8.150 nan 0.000 0.443 146 A N -0.031 122.620 122.820 -0.281 0.000 1.883 146 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 146 A C 1.910 179.322 177.584 -0.287 0.000 1.186 146 A CA 1.841 53.617 52.037 -0.435 0.000 0.624 146 A CB -0.604 17.808 19.000 -0.981 0.000 0.822 146 A HN 0.653 nan 8.150 nan 0.000 0.444 147 E N -0.446 119.634 120.200 -0.199 0.000 2.208 147 E HA 0.034 4.384 4.350 -0.000 0.000 0.193 147 E C 2.212 178.811 176.600 -0.001 0.000 0.988 147 E CA 0.695 57.091 56.400 -0.007 0.000 0.828 147 E CB -0.224 29.485 29.700 0.014 0.000 0.763 147 E HN 0.631 nan 8.360 nan 0.000 0.478 148 A N 1.487 124.264 122.820 -0.071 0.000 1.872 148 A HA 0.010 4.330 4.320 -0.000 0.000 0.214 148 A C 2.382 180.008 177.584 0.070 0.000 1.187 148 A CA 1.368 53.410 52.037 0.009 0.000 0.614 148 A CB -0.522 18.494 19.000 0.028 0.000 0.826 148 A HN 0.271 nan 8.150 nan 0.000 0.442 149 A N -0.206 122.650 122.820 0.060 0.000 2.015 149 A HA 0.246 4.566 4.320 -0.000 0.000 0.219 149 A C 2.349 180.086 177.584 0.255 0.000 1.163 149 A CA 1.662 53.762 52.037 0.104 0.000 0.646 149 A CB -0.777 18.250 19.000 0.045 0.000 0.806 149 A HN 1.006 nan 8.150 nan 0.000 0.448 150 A N -0.431 122.528 122.820 0.233 0.000 2.070 150 A HA 0.148 4.468 4.320 -0.000 0.000 0.220 150 A C 2.231 179.902 177.584 0.144 0.000 1.159 150 A CA 1.599 53.771 52.037 0.225 0.000 0.656 150 A CB -1.056 18.068 19.000 0.206 0.000 0.800 150 A HN 0.686 nan 8.150 nan 0.000 0.453 151 G N -0.692 108.184 108.800 0.126 0.000 2.484 151 G HA2 0.017 3.977 3.960 -0.000 0.000 0.218 151 G HA3 0.017 3.977 3.960 -0.000 0.000 0.218 151 G C 0.515 175.471 174.900 0.094 0.000 1.130 151 G CA 0.174 45.328 45.100 0.090 0.000 0.784 151 G HN 0.473 nan 8.290 nan 0.000 0.543 152 E N 1.265 121.551 120.200 0.144 0.000 2.231 152 E HA 0.266 4.616 4.350 -0.000 0.000 0.277 152 E C -2.336 174.354 176.600 0.150 0.000 0.999 152 E CA -2.406 54.068 56.400 0.124 0.000 0.827 152 E CB 1.322 31.078 29.700 0.093 0.000 1.101 152 E HN 0.045 nan 8.360 nan 0.000 0.393 153 P HA 0.039 nan 4.420 nan 0.000 0.264 153 P C -2.395 174.952 177.300 0.079 0.000 1.179 153 P CA -0.761 62.367 63.100 0.046 0.000 0.763 153 P CB -0.569 31.144 31.700 0.022 0.000 0.806 154 P HA 0.048 nan 4.420 nan 0.000 0.269 154 P C -0.378 176.824 177.300 -0.162 0.000 1.217 154 P CA 0.106 63.238 63.100 0.053 0.000 0.783 154 P CB 0.253 31.924 31.700 -0.050 0.000 0.898 155 A N 1.566 124.155 122.820 -0.385 0.000 2.396 155 A HA 0.167 4.487 4.320 -0.000 0.000 0.279 155 A C 0.840 178.019 177.584 -0.675 0.000 1.165 155 A CA -0.199 51.262 52.037 -0.959 0.000 0.824 155 A CB -0.594 17.415 19.000 -1.653 0.000 1.100 155 A HN 0.666 nan 8.150 nan 0.000 0.516 156 D N 0.898 121.078 120.400 -0.367 0.000 2.348 156 D HA -0.145 4.495 4.640 -0.000 0.000 0.216 156 D C 1.079 177.399 176.300 0.034 0.000 0.970 156 D CA 1.152 55.104 54.000 -0.081 0.000 0.889 156 D CB -0.232 40.599 40.800 0.052 0.000 0.912 156 D HN 0.815 nan 8.370 nan 0.000 0.524 157 W N 0.389 121.704 121.300 0.026 0.000 2.539 157 W HA 0.273 4.933 4.660 -0.000 0.000 0.281 157 W C 1.394 177.938 176.519 0.042 0.000 1.220 157 W CA -0.120 57.243 57.345 0.030 0.000 1.332 157 W CB -0.521 28.954 29.460 0.025 0.000 1.095 157 W HN -0.118 nan 8.180 nan 0.000 0.571 158 L N 0.964 121.981 121.223 -0.344 0.000 2.156 158 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 158 L C 2.768 179.593 176.870 -0.076 0.000 1.095 158 L CA 1.340 56.084 54.840 -0.160 0.000 0.770 158 L CB -0.950 40.961 42.059 -0.246 0.000 0.914 158 L HN 0.083 nan 8.230 nan 0.000 0.439 159 Q N 0.550 120.288 119.800 -0.103 0.000 2.124 159 Q HA -0.134 4.206 4.340 -0.000 0.000 0.202 159 Q C 2.252 178.257 176.000 0.008 0.000 0.977 159 Q CA 1.819 57.596 55.803 -0.043 0.000 0.850 159 Q CB -0.242 28.465 28.738 -0.050 0.000 0.901 159 Q HN 0.469 nan 8.270 nan 0.000 0.429 160 A N 0.091 122.933 122.820 0.037 0.000 2.172 160 A HA -0.146 4.174 4.320 -0.000 0.000 0.216 160 A C 1.283 178.911 177.584 0.074 0.000 1.154 160 A CA 1.422 53.498 52.037 0.065 0.000 0.701 160 A CB -0.384 18.671 19.000 0.091 0.000 0.789 160 A HN 0.312 nan 8.150 nan 0.000 0.465 161 D N 0.150 120.588 120.400 0.063 0.000 2.264 161 D HA 0.009 4.649 4.640 -0.000 0.000 0.208 161 D C 1.918 178.270 176.300 0.088 0.000 0.966 161 D CA 1.152 55.188 54.000 0.060 0.000 0.864 161 D CB -0.174 40.642 40.800 0.027 0.000 0.933 161 D HN 0.448 nan 8.370 nan 0.000 0.499 162 A N 0.245 123.109 122.820 0.072 0.000 2.239 162 A HA 0.194 4.514 4.320 -0.000 0.000 0.209 162 A C 1.834 179.476 177.584 0.096 0.000 1.171 162 A CA 0.958 53.041 52.037 0.077 0.000 0.768 162 A CB -0.200 18.825 19.000 0.042 0.000 0.790 162 A HN 0.149 nan 8.150 nan 0.000 0.478 163 A N -1.087 121.800 122.820 0.112 0.000 2.411 163 A HA 0.483 4.803 4.320 -0.000 0.000 0.251 163 A C 0.093 177.760 177.584 0.140 0.000 1.317 163 A CA -0.385 51.711 52.037 0.099 0.000 0.904 163 A CB -0.625 18.422 19.000 0.078 0.000 0.993 163 A HN 0.400 nan 8.150 nan 0.000 0.504 164 F N -0.627 119.330 119.950 0.012 0.000 2.404 164 F HA 0.430 4.957 4.527 -0.000 0.000 0.339 164 F C 1.520 177.325 175.800 0.008 0.000 1.105 164 F CA 0.658 58.666 58.000 0.012 0.000 1.087 164 F CB 1.216 40.229 39.000 0.022 0.000 1.143 164 F HN 0.198 nan 8.300 nan 0.000 0.491 165 T N 3.108 117.121 114.554 -0.901 0.000 8.916 165 T HA -0.267 4.083 4.350 -0.000 0.000 0.358 165 T C 0.358 174.897 174.700 -0.270 0.000 1.831 165 T CA 1.635 63.340 62.100 -0.659 0.000 2.710 165 T CB -1.532 66.979 68.868 -0.594 0.000 2.731 165 T HN 0.498 nan 8.240 nan 0.000 1.221 180 A N 0.138 123.007 122.820 0.083 0.000 2.530 180 A HA 0.549 4.869 4.320 -0.000 0.000 0.297 180 A C -1.777 175.842 177.584 0.059 0.000 1.059 180 A CA -0.475 51.619 52.037 0.095 0.000 0.782 180 A CB 0.409 19.518 19.000 0.182 0.000 1.301 180 A HN 0.044 nan 8.150 nan 0.000 0.394 181 F N 2.338 122.128 119.950 -0.267 0.000 2.456 181 F HA 0.642 5.169 4.527 -0.000 0.000 0.358 181 F C -0.566 175.048 175.800 -0.310 0.000 1.095 181 F CA -0.572 57.134 58.000 -0.491 0.000 1.216 181 F CB 0.873 39.112 39.000 -1.268 0.000 1.125 181 F HN 0.351 nan 8.300 nan 0.000 0.549 182 L N 8.659 129.307 121.223 -0.959 0.000 2.454 182 L HA 0.393 4.733 4.340 -0.000 0.000 0.258 182 L C -2.195 174.069 176.870 -1.011 0.000 1.025 182 L CA -1.532 52.869 54.840 -0.732 0.000 0.901 182 L CB 1.039 42.833 42.059 -0.441 0.000 1.210 182 L HN 0.464 nan 8.230 nan 0.000 0.457 183 P HA 0.206 nan 4.420 nan 0.000 0.274 183 P C -0.230 176.899 177.300 -0.286 0.000 1.237 183 P CA -0.199 62.498 63.100 -0.672 0.000 0.793 183 P CB 1.532 33.037 31.700 -0.324 0.000 0.977 184 E N -0.586 119.516 120.200 -0.163 0.000 2.391 184 E HA 0.068 4.418 4.350 -0.000 0.000 0.206 184 E C 0.114 176.695 176.600 -0.032 0.000 0.851 184 E CA 0.439 56.791 56.400 -0.080 0.000 1.059 184 E CB 0.477 30.132 29.700 -0.075 0.000 1.065 184 E HN 0.594 nan 8.360 nan 0.000 0.512 185 T N -2.036 112.510 114.554 -0.012 0.000 2.893 185 T HA 0.300 4.650 4.350 -0.000 0.000 0.293 185 T C 0.761 175.485 174.700 0.040 0.000 1.027 185 T CA -0.704 61.406 62.100 0.017 0.000 0.988 185 T CB 1.903 70.787 68.868 0.028 0.000 1.043 185 T HN -0.252 nan 8.240 nan 0.000 0.461 186 S N 1.715 117.447 115.700 0.053 0.000 2.407 186 S HA -0.171 4.299 4.470 -0.000 0.000 0.235 186 S C 1.385 176.062 174.600 0.127 0.000 1.036 186 S CA 1.900 60.154 58.200 0.090 0.000 1.013 186 S CB -0.537 62.750 63.200 0.146 0.000 0.820 186 S HN 0.855 nan 8.310 nan 0.000 0.476 187 D N 2.026 122.496 120.400 0.117 0.000 2.087 187 D HA -0.056 4.584 4.640 -0.000 0.000 0.192 187 D C 2.208 178.595 176.300 0.145 0.000 0.993 187 D CA 1.422 55.499 54.000 0.128 0.000 0.828 187 D CB -0.644 40.214 40.800 0.096 0.000 0.968 187 D HN 0.403 nan 8.370 nan 0.000 0.448 188 A N 0.204 123.108 122.820 0.141 0.000 1.978 188 A HA -0.154 4.166 4.320 -0.000 0.000 0.220 188 A C 2.069 179.834 177.584 0.302 0.000 1.170 188 A CA 1.220 53.382 52.037 0.207 0.000 0.636 188 A CB -0.694 18.419 19.000 0.188 0.000 0.810 188 A HN 0.259 nan 8.150 nan 0.000 0.448 189 L N -0.411 120.943 121.223 0.218 0.000 2.007 189 L HA 0.056 4.396 4.340 -0.000 0.000 0.205 189 L C 2.677 179.635 176.870 0.146 0.000 1.073 189 L CA 2.298 57.256 54.840 0.196 0.000 0.744 189 L CB -1.001 41.001 42.059 -0.094 0.000 0.898 189 L HN 0.293 nan 8.230 nan 0.000 0.435 190 A N -0.643 122.232 122.820 0.092 0.000 1.948 190 A HA -0.273 4.047 4.320 -0.000 0.000 0.220 190 A C 2.030 179.764 177.584 0.250 0.000 1.177 190 A CA 2.125 54.325 52.037 0.273 0.000 0.636 190 A CB -1.003 18.247 19.000 0.416 0.000 0.815 190 A HN 0.645 nan 8.150 nan 0.000 0.449 191 D N -1.662 118.862 120.400 0.207 0.000 2.084 191 D HA -0.183 4.457 4.640 -0.000 0.000 0.194 191 D C 1.669 178.060 176.300 0.151 0.000 0.990 191 D CA 1.547 55.643 54.000 0.160 0.000 0.826 191 D CB -0.378 40.514 40.800 0.152 0.000 0.971 191 D HN 0.774 nan 8.370 nan 0.000 0.453 192 W N 0.628 121.916 121.300 -0.020 0.000 2.379 192 W HA -0.234 4.426 4.660 -0.000 0.000 0.307 192 W C 2.265 178.795 176.519 0.018 0.000 1.200 192 W CA 1.036 58.302 57.345 -0.132 0.000 1.297 192 W CB -0.618 28.463 29.460 -0.633 0.000 1.140 192 W HN -0.026 nan 8.180 nan 0.000 0.507 193 Y N 0.266 120.626 120.300 0.099 0.000 2.421 193 Y HA -0.155 4.395 4.550 -0.000 0.000 0.292 193 Y C 2.182 178.027 175.900 -0.091 0.000 1.136 193 Y CA 1.683 59.763 58.100 -0.033 0.000 1.255 193 Y CB -0.561 37.974 38.460 0.126 0.000 0.991 193 Y HN 0.015 nan 8.280 nan 0.000 0.552 194 L N -0.008 121.235 121.223 0.033 0.000 2.056 194 L HA -0.098 4.242 4.340 -0.000 0.000 0.207 194 L C 2.365 179.102 176.870 -0.223 0.000 1.078 194 L CA 2.064 56.878 54.840 -0.044 0.000 0.749 194 L CB -0.776 41.300 42.059 0.029 0.000 0.901 194 L HN 0.197 nan 8.230 nan 0.000 0.433 195 A N -2.571 120.048 122.820 -0.334 0.000 2.123 195 A HA -0.012 4.308 4.320 -0.000 0.000 0.214 195 A C 0.472 177.546 177.584 -0.849 0.000 1.152 195 A CA 0.432 52.149 52.037 -0.533 0.000 0.728 195 A CB -0.429 18.241 19.000 -0.551 0.000 0.814 195 A HN 0.520 nan 8.150 nan 0.000 0.464 196 H N -0.700 117.947 119.070 -0.706 0.000 2.786 196 H HA 0.224 4.780 4.556 -0.000 0.000 0.284 196 H C -2.178 172.702 175.328 -0.748 0.000 1.104 196 H CA -1.648 53.929 56.048 -0.785 0.000 1.339 196 H CB 1.222 30.217 29.762 -1.278 0.000 1.427 196 H HN 0.178 nan 8.280 nan 0.000 0.497 197 P HA -0.146 nan 4.420 nan 0.000 0.205 197 P C 0.933 178.013 177.300 -0.368 0.000 1.193 197 P CA 0.938 63.792 63.100 -0.409 0.000 0.929 197 P CB 0.481 32.041 31.700 -0.235 0.000 0.772 198 E N -0.145 119.945 120.200 -0.184 0.000 2.424 198 E HA 0.263 4.613 4.350 -0.000 0.000 0.237 198 E C -0.423 176.174 176.600 -0.004 0.000 1.381 198 E CA -0.539 55.822 56.400 -0.065 0.000 1.587 198 E CB -0.596 29.087 29.700 -0.029 0.000 1.398 198 E HN 0.100 nan 8.360 nan 0.000 0.439 199 A N 0.591 123.391 122.820 -0.032 0.000 2.388 199 A HA 0.196 4.516 4.320 -0.000 0.000 0.257 199 A C 0.284 178.035 177.584 0.279 0.000 1.095 199 A CA -0.271 51.843 52.037 0.128 0.000 0.791 199 A CB 0.581 19.658 19.000 0.128 0.000 1.029 199 A HN 0.204 nan 8.150 nan 0.000 0.489 200 T N 3.965 118.657 114.554 0.229 0.000 2.738 200 T HA 0.393 4.743 4.350 -0.000 0.000 0.294 200 T C 0.115 174.896 174.700 0.136 0.000 0.914 200 T CA 0.122 62.341 62.100 0.198 0.000 1.052 200 T CB -0.378 68.584 68.868 0.156 0.000 0.897 200 T HN 0.411 nan 8.240 nan 0.000 0.522 201 L N 4.151 125.462 121.223 0.148 0.000 2.371 201 L HA 0.540 4.880 4.340 -0.000 0.000 0.272 201 L C -0.069 176.758 176.870 -0.071 0.000 1.124 201 L CA -0.605 54.257 54.840 0.036 0.000 0.816 201 L CB 0.680 42.754 42.059 0.024 0.000 1.129 201 L HN 0.541 nan 8.230 nan 0.000 0.448 202 I N 1.854 122.328 120.570 -0.161 0.000 2.468 202 I HA 0.369 4.539 4.170 -0.000 0.000 0.285 202 I C 0.366 176.455 176.117 -0.047 0.000 1.039 202 I CA 0.018 61.223 61.300 -0.157 0.000 1.074 202 I CB 1.932 39.740 38.000 -0.320 0.000 1.228 202 I HN 0.751 nan 8.210 nan 0.000 0.436 203 A N 4.434 127.242 122.820 -0.020 0.000 2.134 203 A HA 0.464 4.784 4.320 -0.000 0.000 0.223 203 A C 1.813 179.401 177.584 0.008 0.000 1.738 203 A CA 0.962 52.998 52.037 -0.001 0.000 0.722 203 A CB -0.884 18.110 19.000 -0.009 0.000 1.346 203 A HN 0.713 nan 8.150 nan 0.000 0.557 204 G N -1.844 106.953 108.800 -0.006 0.000 2.796 204 G HA2 0.376 4.336 3.960 -0.000 0.000 0.210 204 G HA3 0.376 4.336 3.960 -0.000 0.000 0.210 204 G C 1.139 176.032 174.900 -0.013 0.000 1.146 204 G CA 0.713 45.807 45.100 -0.010 0.000 0.779 204 G HN 1.782 nan 8.290 nan 0.000 0.535 205 G N 0.591 109.370 108.800 -0.034 0.000 2.249 205 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.273 205 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.273 205 G C 1.131 175.977 174.900 -0.091 0.000 1.036 205 G CA 1.597 46.650 45.100 -0.078 0.000 0.824 205 G HN 1.154 nan 8.290 nan 0.000 0.504 206 T N -4.372 110.145 114.554 -0.063 0.000 3.081 206 T HA 0.233 4.583 4.350 -0.000 0.000 0.255 206 T C 1.321 175.980 174.700 -0.068 0.000 1.113 206 T CA 1.406 63.483 62.100 -0.038 0.000 1.082 206 T CB 0.383 69.263 68.868 0.020 0.000 0.939 206 T HN 0.163 nan 8.240 nan 0.000 0.506 207 D N 0.338 120.651 120.400 -0.146 0.000 2.482 207 D HA 0.217 4.857 4.640 -0.000 0.000 0.251 207 D C 2.162 178.045 176.300 -0.695 0.000 1.073 207 D CA 0.185 54.064 54.000 -0.202 0.000 0.892 207 D CB 0.256 41.029 40.800 -0.044 0.000 1.202 207 D HN 0.229 nan 8.370 nan 0.000 0.496 208 V N 1.887 121.309 119.914 -0.820 0.000 2.295 208 V HA -0.211 3.909 4.120 -0.000 0.000 0.246 208 V C 2.561 178.172 176.094 -0.804 0.000 1.049 208 V CA 2.207 63.744 62.300 -1.270 0.000 1.024 208 V CB -0.785 30.638 31.823 -0.666 0.000 0.648 208 V HN 0.242 nan 8.190 nan 0.000 0.447 209 S N 0.388 115.857 115.700 -0.385 0.000 2.423 209 S HA -0.083 4.386 4.470 -0.000 0.000 0.231 209 S C 1.904 176.454 174.600 -0.084 0.000 1.014 209 S CA 1.232 59.337 58.200 -0.158 0.000 0.965 209 S CB -0.695 62.457 63.200 -0.080 0.000 0.785 209 S HN 0.537 nan 8.310 nan 0.000 0.495 210 L N -0.557 120.596 121.223 -0.118 0.000 2.191 210 L HA -0.023 4.317 4.340 -0.000 0.000 0.212 210 L C 2.344 179.349 176.870 0.225 0.000 1.103 210 L CA 0.851 55.721 54.840 0.050 0.000 0.769 210 L CB -0.716 41.393 42.059 0.082 0.000 0.908 210 L HN 0.426 nan 8.230 nan 0.000 0.438 211 W N -0.494 120.830 121.300 0.041 0.000 2.678 211 W HA 0.031 4.691 4.660 -0.000 0.000 0.256 211 W C 2.277 178.819 176.519 0.038 0.000 1.280 211 W CA 0.814 58.182 57.345 0.037 0.000 1.345 211 W CB -1.201 28.281 29.460 0.036 0.000 1.118 211 W HN 0.151 nan 8.180 nan 0.000 0.629 212 V N -1.290 118.750 119.914 0.209 0.000 2.922 212 V HA -0.023 4.097 4.120 -0.000 0.000 0.242 212 V C 2.074 178.232 176.094 0.106 0.000 1.094 212 V CA 1.914 64.299 62.300 0.141 0.000 1.106 212 V CB -0.476 31.410 31.823 0.104 0.000 0.799 212 V HN 0.067 nan 8.190 nan 0.000 0.474 213 T N -1.318 113.291 114.554 0.091 0.000 2.770 213 T HA -0.019 4.331 4.350 -0.000 0.000 0.258 213 T C 1.899 176.648 174.700 0.082 0.000 1.039 213 T CA 1.711 63.856 62.100 0.075 0.000 1.143 213 T CB -0.250 68.653 68.868 0.058 0.000 0.866 213 T HN 0.406 nan 8.240 nan 0.000 0.428 214 K N 1.683 122.142 120.400 0.098 0.000 2.108 214 K HA 0.517 4.837 4.320 -0.000 0.000 0.204 214 K C 2.336 178.996 176.600 0.099 0.000 1.036 214 K CA 0.979 57.322 56.287 0.093 0.000 0.965 214 K CB -0.864 31.694 32.500 0.097 0.000 0.804 214 K HN 0.348 nan 8.250 nan 0.000 0.454 215 A N 0.461 123.362 122.820 0.135 0.000 2.206 215 A HA 0.161 4.481 4.320 -0.000 0.000 0.211 215 A C 0.351 177.999 177.584 0.106 0.000 1.158 215 A CA 0.510 52.618 52.037 0.118 0.000 0.761 215 A CB -0.646 18.437 19.000 0.138 0.000 0.801 215 A HN 0.401 nan 8.150 nan 0.000 0.473 216 L N -1.115 120.178 121.223 0.117 0.000 3.742 216 L HA -0.251 4.089 4.340 -0.000 0.000 0.431 216 L C 0.129 177.056 176.870 0.096 0.000 1.220 216 L CA 0.391 55.289 54.840 0.097 0.000 0.863 216 L CB -1.785 40.317 42.059 0.071 0.000 1.751 216 L HN 0.429 nan 8.230 nan 0.000 0.922 217 R N 0.033 120.610 120.500 0.128 0.000 2.349 217 R HA 0.431 4.771 4.340 -0.000 0.000 0.299 217 R C -0.171 176.205 176.300 0.126 0.000 1.027 217 R CA -0.978 55.191 56.100 0.114 0.000 0.958 217 R CB 0.887 31.258 30.300 0.118 0.000 1.047 217 R HN -0.012 nan 8.270 nan 0.000 0.468 218 D N 3.296 123.753 120.400 0.094 0.000 2.277 218 D HA 0.207 4.847 4.640 -0.000 0.000 0.249 218 D C -0.515 175.844 176.300 0.099 0.000 1.134 218 D CA -0.200 53.854 54.000 0.091 0.000 0.863 218 D CB 1.018 41.859 40.800 0.068 0.000 1.143 218 D HN 0.295 nan 8.370 nan 0.000 0.458 219 L N 1.337 122.625 121.223 0.109 0.000 2.433 219 L HA 0.538 4.878 4.340 -0.000 0.000 0.256 219 L C -2.547 174.377 176.870 0.090 0.000 1.063 219 L CA -1.801 53.107 54.840 0.114 0.000 0.922 219 L CB 0.890 43.046 42.059 0.161 0.000 1.238 219 L HN -0.001 nan 8.230 nan 0.000 0.466 220 P HA 0.135 nan 4.420 nan 0.000 0.274 220 P C -0.307 177.043 177.300 0.082 0.000 1.246 220 P CA -0.259 62.885 63.100 0.073 0.000 0.795 220 P CB 0.513 32.250 31.700 0.062 0.000 1.006 221 E N -0.785 119.469 120.200 0.091 0.000 3.117 221 E HA -0.100 4.250 4.350 -0.000 0.000 0.156 221 E C -0.950 175.767 176.600 0.194 0.000 1.699 221 E CA -0.233 56.246 56.400 0.132 0.000 0.728 221 E CB -0.838 28.911 29.700 0.081 0.000 1.091 221 E HN 0.261 nan 8.360 nan 0.000 0.369 222 V N -0.440 119.556 119.914 0.136 0.000 2.960 222 V HA 1.008 5.128 4.120 -0.000 0.000 0.315 222 V C -0.100 175.916 176.094 -0.130 0.000 1.087 222 V CA -0.277 62.023 62.300 0.001 0.000 0.982 222 V CB 2.161 33.872 31.823 -0.186 0.000 1.039 222 V HN 0.631 nan 8.190 nan 0.000 0.437 223 A N 2.049 124.717 122.820 -0.253 0.000 2.381 223 A HA 0.835 5.155 4.320 -0.000 0.000 0.299 223 A C -1.240 176.099 177.584 -0.408 0.000 1.049 223 A CA -0.384 51.470 52.037 -0.306 0.000 0.715 223 A CB 1.047 19.960 19.000 -0.145 0.000 1.222 223 A HN 0.784 nan 8.150 nan 0.000 0.428 224 F N 3.439 123.304 119.950 -0.142 0.000 2.334 224 F HA 0.269 4.796 4.527 -0.000 0.000 0.365 224 F C 1.220 176.958 175.800 -0.103 0.000 1.124 224 F CA -0.253 57.689 58.000 -0.097 0.000 1.166 224 F CB 0.955 39.918 39.000 -0.061 0.000 1.355 224 F HN 0.576 nan 8.300 nan 0.000 0.532 225 L N 1.278 122.522 121.223 0.035 0.000 2.201 225 L HA -0.118 4.222 4.340 -0.000 0.000 0.212 225 L C 2.017 178.879 176.870 -0.013 0.000 1.105 225 L CA 0.683 55.509 54.840 -0.023 0.000 0.775 225 L CB -0.595 41.436 42.059 -0.047 0.000 0.913 225 L HN 0.590 nan 8.230 nan 0.000 0.440 226 S N -1.288 114.405 115.700 -0.011 0.000 3.188 226 S HA -0.059 4.411 4.470 -0.000 0.000 0.257 226 S C 0.876 175.266 174.600 -0.350 0.000 1.163 226 S CA 0.139 58.256 58.200 -0.140 0.000 1.259 226 S CB -0.764 62.344 63.200 -0.154 0.000 0.995 226 S HN 0.458 nan 8.310 nan 0.000 0.474 227 H N -1.663 117.360 119.070 -0.078 0.000 3.771 227 H HA 0.227 4.783 4.556 -0.000 0.000 0.260 227 H C -0.279 174.993 175.328 -0.093 0.000 1.158 227 H CA -0.555 55.435 56.048 -0.096 0.000 1.170 227 H CB 0.167 29.852 29.762 -0.130 0.000 1.539 227 H HN 0.443 nan 8.280 nan 0.000 0.634 228 C N 3.953 123.253 119.300 0.001 0.000 2.459 228 C HA 0.078 4.538 4.460 -0.000 0.000 0.358 228 C C 1.955 176.932 174.990 -0.023 0.000 1.162 228 C CA -0.016 58.991 59.018 -0.019 0.000 1.559 228 C CB -0.655 27.069 27.740 -0.028 0.000 2.132 228 C HN 0.416 nan 8.230 nan 0.000 0.536 229 K N 2.024 122.413 120.400 -0.019 0.000 2.057 229 K HA -0.147 4.173 4.320 -0.000 0.000 0.207 229 K C 1.642 178.228 176.600 -0.023 0.000 1.049 229 K CA 1.739 58.010 56.287 -0.026 0.000 0.931 229 K CB -0.053 32.435 32.500 -0.021 0.000 0.714 229 K HN 0.782 nan 8.250 nan 0.000 0.440 230 D N 1.069 121.463 120.400 -0.010 0.000 2.348 230 D HA -0.147 4.493 4.640 -0.000 0.000 0.216 230 D C 1.773 178.076 176.300 0.004 0.000 0.970 230 D CA 0.576 54.574 54.000 -0.003 0.000 0.889 230 D CB -0.242 40.564 40.800 0.010 0.000 0.912 230 D HN 0.174 nan 8.370 nan 0.000 0.524 231 L N -0.036 121.191 121.223 0.006 0.000 2.179 231 L HA 0.126 4.466 4.340 -0.000 0.000 0.208 231 L C 1.019 177.884 176.870 -0.010 0.000 1.096 231 L CA 0.626 55.478 54.840 0.020 0.000 0.779 231 L CB -0.051 42.023 42.059 0.025 0.000 0.922 231 L HN 0.012 nan 8.230 nan 0.000 0.443 232 A N 0.479 123.279 122.820 -0.033 0.000 2.736 232 A HA 0.424 4.744 4.320 -0.000 0.000 0.335 232 A C -0.699 176.843 177.584 -0.069 0.000 1.446 232 A CA -0.312 51.691 52.037 -0.056 0.000 1.028 232 A CB 0.120 19.082 19.000 -0.064 0.000 1.154 232 A HN 0.200 nan 8.150 nan 0.000 0.507 233 Q N 2.055 121.806 119.800 -0.081 0.000 2.275 233 Q HA 0.304 4.644 4.340 -0.000 0.000 0.266 233 Q C -0.947 174.963 176.000 -0.151 0.000 1.002 233 Q CA -0.478 55.267 55.803 -0.096 0.000 0.761 233 Q CB 1.984 30.684 28.738 -0.063 0.000 1.255 233 Q HN 0.617 nan 8.270 nan 0.000 0.446 234 I N 2.712 123.159 120.570 -0.206 0.000 2.363 234 I HA 0.310 4.480 4.170 -0.000 0.000 0.292 234 I C 0.376 176.359 176.117 -0.222 0.000 1.075 234 I CA 0.115 61.207 61.300 -0.347 0.000 1.333 234 I CB 0.304 38.015 38.000 -0.482 0.000 1.415 234 I HN 0.364 nan 8.210 nan 0.000 0.502 235 R N 4.356 124.756 120.500 -0.165 0.000 2.673 235 R HA 0.375 4.715 4.340 -0.000 0.000 0.281 235 R C -0.830 175.520 176.300 0.083 0.000 0.991 235 R CA -0.675 55.403 56.100 -0.035 0.000 0.896 235 R CB 2.259 32.541 30.300 -0.029 0.000 1.201 235 R HN 0.624 nan 8.270 nan 0.000 0.457 236 E N 1.971 122.245 120.200 0.123 0.000 2.134 236 E HA 0.225 4.575 4.350 -0.000 0.000 0.278 236 E C -1.195 175.451 176.600 0.076 0.000 0.959 236 E CA -0.380 56.138 56.400 0.196 0.000 0.783 236 E CB 1.651 31.497 29.700 0.244 0.000 1.095 236 E HN 0.505 nan 8.360 nan 0.000 0.399 237 T N 2.854 117.427 114.554 0.032 0.000 2.949 237 T HA 0.429 4.779 4.350 -0.000 0.000 0.287 237 T C -1.799 172.874 174.700 -0.044 0.000 1.034 237 T CA -2.160 59.935 62.100 -0.007 0.000 1.018 237 T CB 1.243 70.106 68.868 -0.008 0.000 1.135 237 T HN 0.338 nan 8.240 nan 0.000 0.532 238 P HA -0.050 nan 4.420 nan 0.000 0.217 238 P C 0.615 177.873 177.300 -0.070 0.000 1.150 238 P CA 1.469 64.541 63.100 -0.047 0.000 0.832 238 P CB -0.073 31.609 31.700 -0.030 0.000 0.787 239 D N -1.025 119.335 120.400 -0.067 0.000 2.162 239 D HA 0.106 4.746 4.640 -0.000 0.000 0.203 239 D C 1.559 177.789 176.300 -0.115 0.000 0.967 239 D CA 1.252 55.209 54.000 -0.071 0.000 0.840 239 D CB -0.481 40.293 40.800 -0.044 0.000 0.972 239 D HN 0.265 nan 8.370 nan 0.000 0.482 240 G N -1.533 107.174 108.800 -0.155 0.000 2.929 240 G HA2 0.358 4.318 3.960 -0.000 0.000 0.123 240 G HA3 0.358 4.318 3.960 -0.000 0.000 0.123 240 G C -1.622 173.067 174.900 -0.352 0.000 1.212 240 G CA -0.890 44.040 45.100 -0.284 0.000 1.238 240 G HN 0.146 nan 8.290 nan 0.000 0.617 241 Y N 0.853 121.222 120.300 0.116 0.000 2.338 241 Y HA 0.529 5.079 4.550 -0.000 0.000 0.333 241 Y C 0.629 176.542 175.900 0.023 0.000 0.968 241 Y CA -0.563 57.605 58.100 0.112 0.000 1.123 241 Y CB 2.465 41.108 38.460 0.304 0.000 1.165 241 Y HN 0.619 nan 8.280 nan 0.000 0.452 242 G N 4.717 113.595 108.800 0.129 0.000 2.519 242 G HA2 0.427 4.387 3.960 -0.000 0.000 0.306 242 G HA3 0.427 4.387 3.960 -0.000 0.000 0.306 242 G C -0.682 174.190 174.900 -0.046 0.000 0.965 242 G CA -0.186 44.930 45.100 0.026 0.000 1.291 242 G HN 0.477 nan 8.290 nan 0.000 0.450 243 I N 2.462 122.998 120.570 -0.056 0.000 2.315 243 I HA 0.320 4.490 4.170 -0.000 0.000 0.291 243 I C 1.211 177.277 176.117 -0.084 0.000 1.006 243 I CA -0.078 61.149 61.300 -0.122 0.000 1.265 243 I CB 1.592 39.526 38.000 -0.109 0.000 1.387 243 I HN 0.403 nan 8.210 nan 0.000 0.475 244 G N 3.925 112.671 108.800 -0.091 0.000 2.594 244 G HA2 0.365 4.325 3.960 -0.000 0.000 0.243 244 G HA3 0.365 4.325 3.960 -0.000 0.000 0.243 244 G C 0.944 175.813 174.900 -0.052 0.000 1.229 244 G CA 0.059 45.124 45.100 -0.059 0.000 0.843 244 G HN 0.830 nan 8.290 nan 0.000 0.578 245 A N 0.808 123.612 122.820 -0.028 0.000 1.972 245 A HA 0.092 4.412 4.320 -0.000 0.000 0.219 245 A C 2.427 179.998 177.584 -0.021 0.000 1.169 245 A CA 2.004 54.029 52.037 -0.020 0.000 0.635 245 A CB -0.488 18.519 19.000 0.012 0.000 0.810 245 A HN 1.048 nan 8.150 nan 0.000 0.446 246 G N -0.921 107.865 108.800 -0.023 0.000 2.920 246 G HA2 0.292 4.252 3.960 -0.000 0.000 0.208 246 G HA3 0.292 4.252 3.960 -0.000 0.000 0.208 246 G C 0.400 175.265 174.900 -0.058 0.000 1.159 246 G CA 0.255 45.333 45.100 -0.037 0.000 0.784 246 G HN 0.236 nan 8.290 nan 0.000 0.535 247 V N 2.794 122.667 119.914 -0.068 0.000 2.485 247 V HA 0.165 4.285 4.120 -0.000 0.000 0.287 247 V C 1.063 177.106 176.094 -0.086 0.000 1.022 247 V CA -0.075 62.173 62.300 -0.086 0.000 1.067 247 V CB 0.183 31.940 31.823 -0.110 0.000 0.967 247 V HN 0.402 nan 8.190 nan 0.000 0.479 248 T N 3.969 118.472 114.554 -0.086 0.000 2.898 248 T HA 0.297 4.647 4.350 -0.000 0.000 0.301 248 T C 1.441 176.066 174.700 -0.124 0.000 1.049 248 T CA -0.771 61.273 62.100 -0.094 0.000 1.095 248 T CB 0.939 69.760 68.868 -0.077 0.000 0.976 248 T HN 0.281 nan 8.240 nan 0.000 0.539 249 I N 1.535 121.992 120.570 -0.189 0.000 2.145 249 I HA -0.243 3.927 4.170 -0.000 0.000 0.244 249 I C 2.887 178.893 176.117 -0.185 0.000 1.075 249 I CA 2.112 63.230 61.300 -0.305 0.000 1.332 249 I CB -1.994 35.626 38.000 -0.635 0.000 1.033 249 I HN 0.909 nan 8.210 nan 0.000 0.410 250 A N 0.589 123.338 122.820 -0.118 0.000 1.933 250 A HA -0.079 4.241 4.320 -0.000 0.000 0.218 250 A C 2.551 180.108 177.584 -0.046 0.000 1.175 250 A CA 1.917 53.915 52.037 -0.064 0.000 0.628 250 A CB -0.700 18.276 19.000 -0.040 0.000 0.814 250 A HN 0.446 nan 8.150 nan 0.000 0.444 251 A N -0.515 122.275 122.820 -0.050 0.000 1.930 251 A HA 0.029 4.349 4.320 -0.000 0.000 0.217 251 A C 2.114 179.700 177.584 0.003 0.000 1.175 251 A CA 1.606 53.623 52.037 -0.032 0.000 0.627 251 A CB -0.538 18.430 19.000 -0.053 0.000 0.815 251 A HN 0.763 nan 8.150 nan 0.000 0.443 252 L N -0.283 120.932 121.223 -0.014 0.000 2.141 252 L HA -0.036 4.303 4.340 -0.000 0.000 0.209 252 L C 2.356 179.282 176.870 0.092 0.000 1.094 252 L CA 2.116 56.991 54.840 0.057 0.000 0.763 252 L CB -0.497 41.557 42.059 -0.009 0.000 0.908 252 L HN 0.430 nan 8.230 nan 0.000 0.437 253 R N -0.251 120.252 120.500 0.005 0.000 2.066 253 R HA -0.126 4.214 4.340 -0.000 0.000 0.232 253 R C 2.152 178.450 176.300 -0.003 0.000 1.131 253 R CA 1.349 57.444 56.100 -0.009 0.000 0.955 253 R CB -0.444 29.836 30.300 -0.033 0.000 0.851 253 R HN 0.497 nan 8.270 nan 0.000 0.432 254 A N 0.610 123.434 122.820 0.008 0.000 1.940 254 A HA -0.214 4.106 4.320 -0.000 0.000 0.219 254 A C 1.957 179.556 177.584 0.025 0.000 1.176 254 A CA 1.442 53.482 52.037 0.005 0.000 0.631 254 A CB -0.774 18.229 19.000 0.005 0.000 0.814 254 A HN 0.565 nan 8.150 nan 0.000 0.446 255 F N 0.874 120.771 119.950 -0.088 0.000 2.163 255 F HA 0.088 4.615 4.527 -0.000 0.000 0.297 255 F C 2.317 178.053 175.800 -0.107 0.000 1.094 255 F CA 1.116 59.046 58.000 -0.117 0.000 1.290 255 F CB -0.410 38.507 39.000 -0.138 0.000 1.017 255 F HN 0.202 nan 8.300 nan 0.000 0.483 256 A N -0.327 122.359 122.820 -0.224 0.000 2.168 256 A HA -0.095 4.225 4.320 -0.000 0.000 0.215 256 A C 1.924 179.389 177.584 -0.197 0.000 1.152 256 A CA 1.192 53.078 52.037 -0.251 0.000 0.716 256 A CB -0.857 18.120 19.000 -0.038 0.000 0.794 256 A HN 0.464 nan 8.150 nan 0.000 0.465 257 E N -0.025 120.080 120.200 -0.158 0.000 2.219 257 E HA -0.119 4.231 4.350 -0.000 0.000 0.198 257 E C 1.758 178.272 176.600 -0.145 0.000 0.998 257 E CA 1.545 57.875 56.400 -0.117 0.000 0.818 257 E CB -0.277 29.369 29.700 -0.089 0.000 0.741 257 E HN 0.549 nan 8.360 nan 0.000 0.477 258 G N -0.123 108.541 108.800 -0.226 0.000 2.765 258 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.218 258 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.218 258 G C -0.906 173.840 174.900 -0.258 0.000 1.271 258 G CA 0.322 45.289 45.100 -0.221 0.000 0.865 258 G HN 0.233 nan 8.290 nan 0.000 0.604 259 P HA -0.027 nan 4.420 nan 0.000 0.218 259 P C -0.339 176.597 177.300 -0.606 0.000 1.149 259 P CA 1.105 63.941 63.100 -0.440 0.000 0.817 259 P CB -0.011 31.411 31.700 -0.464 0.000 0.785 260 H N -1.549 117.422 119.070 -0.166 0.000 2.448 260 H HA 0.276 4.832 4.556 -0.000 0.000 0.237 260 H C -2.048 173.224 175.328 -0.095 0.000 1.391 260 H CA -1.604 54.389 56.048 -0.092 0.000 1.477 260 H CB 0.822 30.549 29.762 -0.057 0.000 1.520 260 H HN 0.020 nan 8.280 nan 0.000 0.502 261 P HA -0.173 nan 4.420 nan 0.000 0.223 261 P C 1.437 178.737 177.300 0.001 0.000 1.144 261 P CA 1.131 64.216 63.100 -0.025 0.000 0.783 261 P CB 0.394 32.072 31.700 -0.037 0.000 0.771 262 A N -0.259 122.576 122.820 0.025 0.000 1.873 262 A HA -0.173 4.147 4.320 -0.000 0.000 0.215 262 A C 2.092 179.678 177.584 0.004 0.000 1.186 262 A CA 1.434 53.479 52.037 0.014 0.000 0.616 262 A CB -1.623 17.388 19.000 0.019 0.000 0.823 262 A HN 0.180 nan 8.150 nan 0.000 0.442 263 L N -0.065 121.169 121.223 0.019 0.000 2.012 263 L HA -0.095 4.245 4.340 -0.000 0.000 0.210 263 L C 2.668 179.538 176.870 0.001 0.000 1.073 263 L CA 2.300 57.140 54.840 0.000 0.000 0.748 263 L CB -0.853 41.205 42.059 -0.003 0.000 0.891 263 L HN 0.357 nan 8.230 nan 0.000 0.431 264 A N -0.387 122.432 122.820 -0.001 0.000 1.883 264 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 264 A C 2.383 179.967 177.584 -0.001 0.000 1.186 264 A CA 1.814 53.844 52.037 -0.011 0.000 0.624 264 A CB -1.727 17.255 19.000 -0.029 0.000 0.822 264 A HN 0.558 nan 8.150 nan 0.000 0.444 265 G N -0.280 108.521 108.800 0.001 0.000 2.476 265 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.218 265 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.218 265 G C 1.535 176.450 174.900 0.025 0.000 1.164 265 G CA 1.382 46.487 45.100 0.009 0.000 0.768 265 G HN 0.518 nan 8.290 nan 0.000 0.560 266 L N 0.210 121.449 121.223 0.027 0.000 2.056 266 L HA 0.205 4.545 4.340 -0.000 0.000 0.207 266 L C 2.652 179.577 176.870 0.092 0.000 1.078 266 L CA 1.139 56.011 54.840 0.053 0.000 0.749 266 L CB -0.276 41.806 42.059 0.037 0.000 0.901 266 L HN 0.188 nan 8.230 nan 0.000 0.433 267 L N -0.518 120.746 121.223 0.069 0.000 2.362 267 L HA -0.145 4.195 4.340 -0.000 0.000 0.219 267 L C 2.628 179.559 176.870 0.101 0.000 1.134 267 L CA 0.587 55.475 54.840 0.080 0.000 0.807 267 L CB -0.552 41.493 42.059 -0.023 0.000 0.927 267 L HN 0.329 nan 8.230 nan 0.000 0.447 268 R N 0.946 121.488 120.500 0.069 0.000 2.148 268 R HA -0.084 4.256 4.340 -0.000 0.000 0.227 268 R C 1.412 177.765 176.300 0.088 0.000 1.103 268 R CA 1.060 57.195 56.100 0.058 0.000 0.983 268 R CB 0.081 30.395 30.300 0.024 0.000 0.874 268 R HN 0.327 nan 8.270 nan 0.000 0.451 269 R N -0.659 119.907 120.500 0.109 0.000 2.515 269 R HA 0.098 4.438 4.340 -0.000 0.000 0.294 269 R C -0.510 175.877 176.300 0.146 0.000 1.021 269 R CA -0.332 55.837 56.100 0.114 0.000 1.081 269 R CB 0.136 30.498 30.300 0.104 0.000 1.263 269 R HN -0.011 nan 8.270 nan 0.000 0.557 270 F N 1.429 121.395 119.950 0.027 0.000 2.404 270 F HA 0.340 4.867 4.527 -0.000 0.000 0.358 270 F C 0.957 176.771 175.800 0.023 0.000 1.120 270 F CA 0.001 58.016 58.000 0.026 0.000 1.144 270 F CB 0.418 39.430 39.000 0.021 0.000 1.133 270 F HN 0.265 nan 8.300 nan 0.000 0.495 271 A N 3.444 126.203 122.820 -0.103 0.000 5.391 271 A HA -0.249 4.071 4.320 -0.000 0.000 0.315 271 A C 0.303 177.926 177.584 0.065 0.000 1.874 271 A CA 1.398 53.422 52.037 -0.021 0.000 0.714 271 A CB -2.116 16.925 19.000 0.068 0.000 1.335 271 A HN 1.595 nan 8.150 nan 0.000 0.382 272 S N -1.617 114.135 115.700 0.086 0.000 2.667 272 S HA 0.618 5.088 4.470 -0.000 0.000 0.292 272 S C 0.262 174.900 174.600 0.064 0.000 1.126 272 S CA 0.581 58.815 58.200 0.057 0.000 0.881 272 S CB 1.857 65.069 63.200 0.021 0.000 1.132 272 S HN 1.231 nan 8.310 nan 0.000 0.492 273 E N 0.728 120.949 120.200 0.035 0.000 2.130 273 E HA -0.203 4.147 4.350 -0.000 0.000 0.196 273 E C 1.647 178.255 176.600 0.014 0.000 0.998 273 E CA 1.964 58.377 56.400 0.023 0.000 0.806 273 E CB -0.400 29.306 29.700 0.010 0.000 0.738 273 E HN 0.698 nan 8.360 nan 0.000 0.459 274 Q N -1.154 118.648 119.800 0.005 0.000 2.311 274 Q HA 0.067 4.407 4.340 -0.000 0.000 0.203 274 Q C 2.034 178.038 176.000 0.008 0.000 0.954 274 Q CA 0.910 56.709 55.803 -0.006 0.000 0.885 274 Q CB 0.286 29.010 28.738 -0.024 0.000 0.963 274 Q HN 0.165 nan 8.270 nan 0.000 0.471 275 V N 0.002 119.937 119.914 0.036 0.000 2.725 275 V HA -0.052 4.068 4.120 -0.000 0.000 0.247 275 V C 1.893 178.041 176.094 0.090 0.000 1.058 275 V CA 1.044 63.382 62.300 0.064 0.000 1.080 275 V CB -0.193 31.682 31.823 0.088 0.000 0.713 275 V HN 0.225 nan 8.190 nan 0.000 0.465 276 R N -0.123 120.433 120.500 0.093 0.000 2.189 276 R HA -0.109 4.231 4.340 -0.000 0.000 0.223 276 R C 2.212 178.506 176.300 -0.009 0.000 1.092 276 R CA 0.787 56.916 56.100 0.049 0.000 0.989 276 R CB -0.092 30.236 30.300 0.047 0.000 0.876 276 R HN 0.442 nan 8.270 nan 0.000 0.457 277 Q N -0.290 119.506 119.800 -0.006 0.000 2.378 277 Q HA -0.056 4.284 4.340 -0.000 0.000 0.205 277 Q C 1.998 177.976 176.000 -0.037 0.000 0.954 277 Q CA 1.163 56.949 55.803 -0.027 0.000 0.901 277 Q CB 0.472 29.194 28.738 -0.027 0.000 0.981 277 Q HN 0.372 nan 8.270 nan 0.000 0.483 278 V N -3.586 116.314 119.914 -0.023 0.000 2.996 278 V HA 0.447 4.567 4.120 -0.000 0.000 0.235 278 V C 1.045 177.128 176.094 -0.018 0.000 1.205 278 V CA 0.180 62.462 62.300 -0.030 0.000 1.225 278 V CB -0.907 30.898 31.823 -0.031 0.000 0.995 278 V HN 0.004 nan 8.190 nan 0.000 0.484 279 A N 2.666 125.496 122.820 0.017 0.000 2.540 279 A HA 0.500 4.820 4.320 -0.000 0.000 0.239 279 A C 0.670 178.245 177.584 -0.015 0.000 1.061 279 A CA 0.917 52.980 52.037 0.044 0.000 0.758 279 A CB -0.483 18.614 19.000 0.161 0.000 0.991 279 A HN 0.906 nan 8.150 nan 0.000 0.502 280 T N -0.122 114.427 114.554 -0.009 0.000 2.948 280 T HA 0.498 4.848 4.350 -0.000 0.000 0.285 280 T C 0.932 175.609 174.700 -0.039 0.000 1.019 280 T CA -0.222 61.852 62.100 -0.042 0.000 1.013 280 T CB 0.869 69.719 68.868 -0.029 0.000 1.117 280 T HN 0.512 nan 8.240 nan 0.000 0.533 281 I N 1.088 121.622 120.570 -0.059 0.000 2.406 281 I HA 0.233 4.403 4.170 -0.000 0.000 0.249 281 I C 2.327 178.447 176.117 0.006 0.000 1.122 281 I CA 1.484 62.760 61.300 -0.041 0.000 1.431 281 I CB -0.922 37.042 38.000 -0.061 0.000 1.087 281 I HN 0.907 nan 8.210 nan 0.000 0.424 282 G N -0.187 108.610 108.800 -0.006 0.000 2.408 282 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.217 282 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.217 282 G C 1.665 176.588 174.900 0.038 0.000 1.150 282 G CA 0.532 45.631 45.100 -0.001 0.000 0.776 282 G HN 0.532 nan 8.290 nan 0.000 0.542 283 G N 0.139 108.968 108.800 0.049 0.000 2.484 283 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.218 283 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.218 283 G C 1.507 176.484 174.900 0.129 0.000 1.130 283 G CA 0.890 46.037 45.100 0.077 0.000 0.784 283 G HN 0.508 nan 8.290 nan 0.000 0.543 284 N N 0.397 119.182 118.700 0.142 0.000 2.062 284 N HA -0.063 4.677 4.740 -0.000 0.000 0.191 284 N C 2.268 177.933 175.510 0.258 0.000 1.042 284 N CA 0.894 54.072 53.050 0.213 0.000 0.845 284 N CB -0.111 38.509 38.487 0.221 0.000 1.024 284 N HN 0.283 nan 8.380 nan 0.000 0.424 285 I N 1.488 122.202 120.570 0.241 0.000 2.163 285 I HA -0.256 3.914 4.170 -0.000 0.000 0.243 285 I C 2.478 178.830 176.117 0.392 0.000 1.085 285 I CA 1.320 62.825 61.300 0.342 0.000 1.347 285 I CB -0.292 37.790 38.000 0.136 0.000 1.044 285 I HN 0.211 nan 8.210 nan 0.000 0.408 286 A N 0.282 123.254 122.820 0.254 0.000 2.067 286 A HA -0.224 4.096 4.320 -0.000 0.000 0.219 286 A C 2.011 179.778 177.584 0.306 0.000 1.158 286 A CA 1.916 54.126 52.037 0.289 0.000 0.661 286 A CB -0.750 18.358 19.000 0.180 0.000 0.801 286 A HN 0.468 nan 8.150 nan 0.000 0.452 287 N N -0.194 118.681 118.700 0.291 0.000 2.244 287 N HA 0.004 4.744 4.740 -0.000 0.000 0.183 287 N C 1.176 176.861 175.510 0.293 0.000 1.016 287 N CA 1.564 54.782 53.050 0.280 0.000 0.866 287 N CB -0.323 38.312 38.487 0.247 0.000 0.980 287 N HN 0.647 nan 8.380 nan 0.000 0.430 288 G N -0.280 108.764 108.800 0.406 0.000 2.221 288 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.265 288 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.265 288 G C -0.095 174.977 174.900 0.287 0.000 1.041 288 G CA 0.706 46.097 45.100 0.484 0.000 0.807 288 G HN 0.617 nan 8.290 nan 0.000 0.502 289 S N 0.648 116.480 115.700 0.219 0.000 2.505 289 S HA 0.516 4.986 4.470 -0.000 0.000 0.276 289 S C 0.296 174.928 174.600 0.052 0.000 1.274 289 S CA -0.560 57.730 58.200 0.149 0.000 1.053 289 S CB 1.241 64.520 63.200 0.131 0.000 0.919 289 S HN 0.176 nan 8.310 nan 0.000 0.490 290 P HA -0.086 nan 4.420 nan 0.000 0.218 290 P C 1.269 178.554 177.300 -0.026 0.000 1.149 290 P CA 0.975 64.073 63.100 -0.003 0.000 0.817 290 P CB -0.285 31.432 31.700 0.028 0.000 0.785 291 I N -3.131 117.443 120.570 0.007 0.000 3.810 291 I HA 0.285 4.455 4.170 -0.000 0.000 0.322 291 I C 0.569 176.680 176.117 -0.009 0.000 1.288 291 I CA -0.157 61.140 61.300 -0.006 0.000 1.143 291 I CB -1.267 36.732 38.000 -0.001 0.000 1.012 291 I HN -0.285 nan 8.210 nan 0.000 0.423 292 G N 1.618 110.421 108.800 0.005 0.000 2.358 292 G HA2 0.163 4.123 3.960 -0.000 0.000 0.273 292 G HA3 0.163 4.123 3.960 -0.000 0.000 0.273 292 G C -0.111 174.821 174.900 0.052 0.000 1.215 292 G CA -0.213 44.910 45.100 0.038 0.000 0.910 292 G HN 0.272 nan 8.290 nan 0.000 0.467 293 D N 1.917 122.368 120.400 0.085 0.000 2.347 293 D HA 0.019 4.659 4.640 -0.000 0.000 0.215 293 D C 2.324 178.737 176.300 0.188 0.000 0.976 293 D CA 1.045 55.120 54.000 0.126 0.000 0.884 293 D CB 0.370 41.254 40.800 0.139 0.000 0.915 293 D HN 0.480 nan 8.370 nan 0.000 0.526 294 G N 1.869 110.822 108.800 0.256 0.000 2.637 294 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.215 294 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.215 294 G C -0.728 174.237 174.900 0.109 0.000 1.289 294 G CA 0.402 45.608 45.100 0.177 0.000 0.816 294 G HN 0.177 nan 8.290 nan 0.000 0.580 295 P HA -0.198 nan 4.420 nan 0.000 0.214 295 P C -1.256 176.071 177.300 0.046 0.000 1.099 295 P CA 2.897 66.062 63.100 0.109 0.000 0.976 295 P CB -1.197 30.479 31.700 -0.041 0.000 0.774 296 P HA -0.198 nan 4.420 nan 0.000 0.217 296 P C 1.488 178.757 177.300 -0.052 0.000 1.151 296 P CA 2.508 65.584 63.100 -0.040 0.000 0.849 296 P CB -0.734 30.921 31.700 -0.075 0.000 0.787 297 A N -0.591 122.207 122.820 -0.036 0.000 1.877 297 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 297 A C 2.078 179.631 177.584 -0.051 0.000 1.186 297 A CA 1.486 53.492 52.037 -0.052 0.000 0.620 297 A CB -1.558 17.426 19.000 -0.027 0.000 0.822 297 A HN 0.043 nan 8.150 nan 0.000 0.443 298 L N -0.138 121.074 121.223 -0.018 0.000 2.017 298 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 298 L C 2.526 179.392 176.870 -0.005 0.000 1.073 298 L CA 1.636 56.466 54.840 -0.016 0.000 0.745 298 L CB -1.475 40.599 42.059 0.026 0.000 0.894 298 L HN 0.413 nan 8.230 nan 0.000 0.432 299 I N -0.097 120.487 120.570 0.023 0.000 2.226 299 I HA -0.280 3.890 4.170 -0.000 0.000 0.245 299 I C 2.693 178.810 176.117 -0.001 0.000 1.100 299 I CA 1.171 62.493 61.300 0.037 0.000 1.374 299 I CB -0.489 37.551 38.000 0.068 0.000 1.057 299 I HN 0.175 nan 8.210 nan 0.000 0.413 300 A N 1.609 124.406 122.820 -0.038 0.000 1.933 300 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 300 A C 2.294 179.847 177.584 -0.051 0.000 1.175 300 A CA 2.000 53.998 52.037 -0.066 0.000 0.628 300 A CB -0.618 18.312 19.000 -0.117 0.000 0.814 300 A HN 0.626 nan 8.150 nan 0.000 0.444 301 M N -2.584 116.984 119.600 -0.054 0.000 2.431 301 M HA 0.438 4.918 4.480 -0.000 0.000 0.237 301 M C 0.994 177.276 176.300 -0.030 0.000 1.130 301 M CA 0.690 55.961 55.300 -0.048 0.000 1.002 301 M CB -0.028 32.511 32.600 -0.102 0.000 1.524 301 M HN 0.655 nan 8.290 nan 0.000 0.482 302 G N 1.734 110.524 108.800 -0.016 0.000 2.246 302 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.273 302 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.273 302 G C 0.193 175.094 174.900 0.001 0.000 1.055 302 G CA 0.167 45.267 45.100 0.001 0.000 0.851 302 G HN 1.033 nan 8.290 nan 0.000 0.500 303 A N -0.030 122.788 122.820 -0.005 0.000 2.498 303 A HA 0.634 4.954 4.320 -0.000 0.000 0.239 303 A C 1.050 178.636 177.584 0.004 0.000 1.068 303 A CA 0.926 52.962 52.037 -0.003 0.000 0.766 303 A CB 0.309 19.304 19.000 -0.009 0.000 1.003 303 A HN 2.019 nan 8.150 nan 0.000 0.497 304 S N 1.585 117.281 115.700 -0.005 0.000 2.525 304 S HA 0.602 5.072 4.470 -0.000 0.000 0.290 304 S C -0.522 174.051 174.600 -0.044 0.000 1.152 304 S CA -0.709 57.480 58.200 -0.017 0.000 1.072 304 S CB 1.182 64.371 63.200 -0.017 0.000 1.027 304 S HN 1.065 nan 8.310 nan 0.000 0.500 305 L N 2.442 123.621 121.223 -0.073 0.000 2.295 305 L HA 0.614 4.954 4.340 -0.000 0.000 0.285 305 L C -0.471 176.308 176.870 -0.151 0.000 1.035 305 L CA 0.102 54.857 54.840 -0.141 0.000 0.806 305 L CB 1.774 43.694 42.059 -0.232 0.000 1.214 305 L HN 0.826 nan 8.230 nan 0.000 0.426 306 T N 6.294 120.749 114.554 -0.166 0.000 2.758 306 T HA 0.528 4.878 4.350 -0.000 0.000 0.285 306 T C -0.148 174.407 174.700 -0.242 0.000 0.981 306 T CA -0.273 61.727 62.100 -0.167 0.000 0.965 306 T CB 0.519 69.311 68.868 -0.127 0.000 0.927 306 T HN 0.425 nan 8.240 nan 0.000 0.448 307 L N 3.141 124.220 121.223 -0.240 0.000 2.360 307 L HA 0.722 5.062 4.340 -0.000 0.000 0.271 307 L C 0.401 177.071 176.870 -0.334 0.000 1.057 307 L CA -0.971 53.691 54.840 -0.297 0.000 0.803 307 L CB 1.302 43.246 42.059 -0.192 0.000 1.207 307 L HN 0.416 nan 8.230 nan 0.000 0.445 308 R N 1.262 121.443 120.500 -0.531 0.000 2.673 308 R HA 0.519 4.859 4.340 -0.000 0.000 0.281 308 R C -1.140 174.963 176.300 -0.328 0.000 0.991 308 R CA -0.761 55.020 56.100 -0.531 0.000 0.896 308 R CB 1.695 31.483 30.300 -0.853 0.000 1.201 308 R HN 0.609 nan 8.270 nan 0.000 0.457 309 R N 3.180 123.647 120.500 -0.053 0.000 2.721 309 R HA 0.264 4.604 4.340 -0.000 0.000 0.272 309 R C 0.029 176.411 176.300 0.136 0.000 1.721 309 R CA 0.650 56.816 56.100 0.111 0.000 1.325 309 R CB 0.870 31.215 30.300 0.074 0.000 1.271 309 R HN 0.959 nan 8.270 nan 0.000 0.556 310 G N 2.305 111.242 108.800 0.228 0.000 4.766 310 G HA2 -0.421 3.539 3.960 -0.000 0.000 0.314 310 G HA3 -0.421 3.539 3.960 -0.000 0.000 0.314 310 G C 0.541 175.523 174.900 0.137 0.000 1.427 310 G CA 0.719 45.924 45.100 0.175 0.000 1.024 310 G HN 0.503 nan 8.290 nan 0.000 0.754 311 Q N 1.203 121.053 119.800 0.083 0.000 2.157 311 Q HA 0.304 4.644 4.340 -0.000 0.000 0.235 311 Q C 0.575 176.592 176.000 0.028 0.000 0.803 311 Q CA 0.383 56.221 55.803 0.058 0.000 0.967 311 Q CB 0.370 29.136 28.738 0.047 0.000 1.150 311 Q HN 0.683 nan 8.270 nan 0.000 0.482 312 E N 0.803 121.015 120.200 0.021 0.000 2.383 312 E HA 0.182 4.532 4.350 -0.000 0.000 0.264 312 E C -0.504 176.075 176.600 -0.036 0.000 1.050 312 E CA 0.169 56.567 56.400 -0.004 0.000 0.896 312 E CB 0.814 30.514 29.700 -0.000 0.000 0.982 312 E HN 0.082 nan 8.360 nan 0.000 0.424 313 R N 1.944 122.418 120.500 -0.044 0.000 2.500 313 R HA 0.296 4.636 4.340 -0.000 0.000 0.299 313 R C -0.387 175.875 176.300 -0.064 0.000 1.038 313 R CA -0.482 55.574 56.100 -0.073 0.000 0.903 313 R CB 1.642 31.905 30.300 -0.062 0.000 1.177 313 R HN 0.295 nan 8.270 nan 0.000 0.455 314 R N 2.046 122.498 120.500 -0.081 0.000 2.486 314 R HA 0.502 4.842 4.340 -0.000 0.000 0.286 314 R C -0.168 176.089 176.300 -0.072 0.000 0.999 314 R CA -0.701 55.363 56.100 -0.061 0.000 0.993 314 R CB 1.739 32.010 30.300 -0.049 0.000 1.084 314 R HN 0.265 nan 8.270 nan 0.000 0.487 315 R N 2.664 123.134 120.500 -0.049 0.000 2.628 315 R HA 0.531 4.871 4.340 -0.000 0.000 0.288 315 R C -0.762 175.521 176.300 -0.030 0.000 0.980 315 R CA -0.667 55.404 56.100 -0.049 0.000 0.891 315 R CB 2.135 32.411 30.300 -0.040 0.000 1.188 315 R HN 0.655 nan 8.270 nan 0.000 0.450 316 M N 0.283 119.865 119.600 -0.031 0.000 2.643 316 M HA 0.510 4.989 4.480 -0.000 0.000 0.276 316 M C -3.024 173.276 176.300 0.001 0.000 1.200 316 M CA -2.314 52.983 55.300 -0.004 0.000 0.863 316 M CB 2.488 35.098 32.600 0.016 0.000 1.711 316 M HN 0.152 nan 8.290 nan 0.000 0.492 317 P HA 0.096 nan 4.420 nan 0.000 0.268 317 P C 0.585 177.926 177.300 0.068 0.000 1.204 317 P CA -0.366 62.758 63.100 0.039 0.000 0.768 317 P CB 0.538 32.267 31.700 0.049 0.000 0.842 318 L N 4.203 125.473 121.223 0.078 0.000 2.081 318 L HA -0.225 4.114 4.340 -0.000 0.000 0.212 318 L C 2.049 179.078 176.870 0.264 0.000 1.080 318 L CA 1.948 56.867 54.840 0.132 0.000 0.754 318 L CB -1.058 41.092 42.059 0.152 0.000 0.893 318 L HN 0.447 nan 8.230 nan 0.000 0.433 319 E N -1.342 119.007 120.200 0.250 0.000 2.265 319 E HA -0.246 4.104 4.350 -0.000 0.000 0.196 319 E C 1.269 178.031 176.600 0.269 0.000 0.996 319 E CA 1.452 58.039 56.400 0.312 0.000 0.832 319 E CB -0.672 29.150 29.700 0.203 0.000 0.756 319 E HN 0.516 nan 8.360 nan 0.000 0.491 320 D N 0.157 120.665 120.400 0.179 0.000 2.312 320 D HA -0.053 4.587 4.640 -0.000 0.000 0.211 320 D C 1.320 177.691 176.300 0.119 0.000 0.964 320 D CA 0.429 54.506 54.000 0.128 0.000 0.877 320 D CB -0.451 40.403 40.800 0.089 0.000 0.924 320 D HN 0.222 nan 8.370 nan 0.000 0.515 321 F N 0.224 120.121 119.950 -0.089 0.000 2.367 321 F HA 0.109 4.636 4.527 -0.000 0.000 0.298 321 F C 0.211 175.807 175.800 -0.339 0.000 1.094 321 F CA 0.253 58.086 58.000 -0.280 0.000 1.409 321 F CB -0.048 38.663 39.000 -0.481 0.000 1.064 321 F HN -0.266 nan 8.300 nan 0.000 0.528 322 F N 1.996 121.938 119.950 -0.014 0.000 2.377 322 F HA 0.258 4.785 4.527 -0.000 0.000 0.360 322 F C 0.664 176.435 175.800 -0.049 0.000 1.147 322 F CA -0.614 57.336 58.000 -0.083 0.000 1.170 322 F CB 0.182 39.213 39.000 0.052 0.000 1.339 322 F HN -0.157 nan 8.300 nan 0.000 0.552 323 L N 0.122 121.353 121.223 0.014 0.000 2.080 323 L HA 0.167 4.507 4.340 -0.000 0.000 0.209 323 L C 1.168 178.083 176.870 0.074 0.000 1.178 323 L CA 0.061 54.917 54.840 0.027 0.000 1.430 323 L CB -0.367 41.671 42.059 -0.035 0.000 1.236 323 L HN 0.318 nan 8.230 nan 0.000 0.736 324 E N -1.081 119.150 120.200 0.053 0.000 2.622 324 E HA 0.052 4.402 4.350 -0.000 0.000 0.255 324 E C -0.912 175.776 176.600 0.148 0.000 1.313 324 E CA -0.562 55.892 56.400 0.090 0.000 1.011 324 E CB 0.292 30.028 29.700 0.060 0.000 1.173 324 E HN 0.106 nan 8.360 nan 0.000 0.601 325 Y N 1.760 122.080 120.300 0.033 0.000 2.544 325 Y HA 0.039 4.589 4.550 -0.000 0.000 0.330 325 Y C 0.195 176.113 175.900 0.030 0.000 1.136 325 Y CA 0.323 58.445 58.100 0.036 0.000 1.417 325 Y CB 0.044 38.520 38.460 0.026 0.000 1.229 325 Y HN 0.600 nan 8.280 nan 0.000 0.532 326 R N 2.025 122.345 120.500 -0.300 0.000 3.847 326 R HA -0.277 4.063 4.340 -0.000 0.000 0.304 326 R C -0.544 175.662 176.300 -0.157 0.000 1.203 326 R CA 1.306 57.216 56.100 -0.317 0.000 0.835 326 R CB -1.353 28.599 30.300 -0.581 0.000 1.253 326 R HN 0.607 nan 8.270 nan 0.000 0.516 327 K N 1.230 121.578 120.400 -0.086 0.000 2.535 327 K HA 0.287 4.606 4.320 -0.000 0.000 0.253 327 K C -0.809 175.704 176.600 -0.146 0.000 0.953 327 K CA -0.557 55.676 56.287 -0.090 0.000 0.863 327 K CB 1.223 33.691 32.500 -0.054 0.000 1.111 327 K HN -0.093 nan 8.250 nan 0.000 0.431 328 Q N 1.179 120.829 119.800 -0.250 0.000 2.306 328 Q HA 0.211 4.551 4.340 -0.000 0.000 0.269 328 Q C -1.166 174.553 176.000 -0.467 0.000 1.053 328 Q CA -0.627 54.826 55.803 -0.583 0.000 0.879 328 Q CB 1.493 29.673 28.738 -0.930 0.000 1.344 328 Q HN 0.488 nan 8.270 nan 0.000 0.464 329 D N 0.971 120.990 120.400 -0.635 0.000 2.619 329 D HA 0.115 4.755 4.640 -0.000 0.000 0.224 329 D C -0.951 175.392 176.300 0.071 0.000 1.133 329 D CA -0.003 53.891 54.000 -0.177 0.000 1.017 329 D CB -0.013 40.760 40.800 -0.046 0.000 1.077 329 D HN 0.288 nan 8.370 nan 0.000 0.503 330 R N 2.998 123.530 120.500 0.052 0.000 2.680 330 R HA 0.262 4.602 4.340 -0.000 0.000 0.278 330 R C -0.274 176.090 176.300 0.107 0.000 1.582 330 R CA -0.678 55.523 56.100 0.169 0.000 1.177 330 R CB 0.437 30.891 30.300 0.256 0.000 1.232 330 R HN 0.166 nan 8.270 nan 0.000 0.528 331 R N 2.569 123.124 120.500 0.091 0.000 2.827 331 R HA 0.100 4.440 4.340 -0.000 0.000 0.269 331 R C -1.958 174.398 176.300 0.092 0.000 1.048 331 R CA -1.270 54.871 56.100 0.068 0.000 1.173 331 R CB 0.176 30.506 30.300 0.051 0.000 1.070 331 R HN 0.396 nan 8.270 nan 0.000 0.498 332 P HA -0.054 nan 4.420 nan 0.000 0.252 332 P C 0.269 177.596 177.300 0.045 0.000 1.183 332 P CA 0.928 64.050 63.100 0.037 0.000 0.973 332 P CB 0.049 31.744 31.700 -0.007 0.000 0.990 333 G N 2.098 110.972 108.800 0.124 0.000 2.227 333 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.168 333 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.168 333 G C -0.100 175.077 174.900 0.461 0.000 1.006 333 G CA -0.521 44.687 45.100 0.178 0.000 0.684 333 G HN 0.483 nan 8.290 nan 0.000 0.489 334 E N -0.514 119.940 120.200 0.422 0.000 2.250 334 E HA 0.737 5.087 4.350 -0.000 0.000 0.269 334 E C -0.221 176.550 176.600 0.286 0.000 1.018 334 E CA -0.689 55.885 56.400 0.290 0.000 0.873 334 E CB 1.161 30.946 29.700 0.142 0.000 1.134 334 E HN 0.529 nan 8.360 nan 0.000 0.403 335 F N -2.075 117.851 119.950 -0.040 0.000 2.662 335 F HA 0.516 5.043 4.527 -0.000 0.000 0.312 335 F C -1.323 174.411 175.800 -0.110 0.000 1.113 335 F CA -1.342 56.568 58.000 -0.150 0.000 0.951 335 F CB 0.520 39.329 39.000 -0.319 0.000 1.344 335 F HN 0.073 nan 8.300 nan 0.000 0.462 336 V N 2.205 122.103 119.914 -0.026 0.000 2.427 336 V HA 0.152 4.272 4.120 -0.000 0.000 0.268 336 V C 0.674 176.721 176.094 -0.079 0.000 1.046 336 V CA 0.107 62.308 62.300 -0.164 0.000 0.970 336 V CB 0.816 32.560 31.823 -0.131 0.000 1.001 336 V HN 1.032 nan 8.190 nan 0.000 0.476 337 E N 3.385 123.435 120.200 -0.250 0.000 2.162 337 E HA 0.089 4.439 4.350 -0.000 0.000 0.193 337 E C 0.576 177.142 176.600 -0.056 0.000 0.953 337 E CA 0.936 57.261 56.400 -0.125 0.000 0.849 337 E CB 0.766 30.306 29.700 -0.267 0.000 0.810 337 E HN 0.842 nan 8.360 nan 0.000 0.470 338 S N -0.762 114.875 115.700 -0.106 0.000 2.615 338 S HA 0.460 4.930 4.470 -0.000 0.000 0.268 338 S C -0.863 173.679 174.600 -0.097 0.000 1.146 338 S CA -0.628 57.524 58.200 -0.080 0.000 0.818 338 S CB 1.651 64.815 63.200 -0.060 0.000 1.111 338 S HN 0.139 nan 8.310 nan 0.000 0.465 339 V N -1.108 118.765 119.914 -0.069 0.000 2.656 339 V HA 0.895 5.015 4.120 -0.000 0.000 0.307 339 V C -0.514 175.568 176.094 -0.020 0.000 1.051 339 V CA -0.572 61.695 62.300 -0.055 0.000 0.893 339 V CB 1.228 33.024 31.823 -0.044 0.000 0.999 339 V HN 1.005 nan 8.190 nan 0.000 0.426 340 T N 6.088 120.636 114.554 -0.011 0.000 2.794 340 T HA 0.808 5.158 4.350 -0.000 0.000 0.280 340 T C -0.364 174.357 174.700 0.034 0.000 0.987 340 T CA -0.411 61.702 62.100 0.022 0.000 0.993 340 T CB 1.230 70.101 68.868 0.004 0.000 0.939 340 T HN 0.871 nan 8.240 nan 0.000 0.449 341 L N 1.560 122.834 121.223 0.086 0.000 2.370 341 L HA 0.765 5.105 4.340 -0.000 0.000 0.266 341 L C -2.727 174.209 176.870 0.111 0.000 1.002 341 L CA -2.870 52.013 54.840 0.071 0.000 0.818 341 L CB 1.291 43.371 42.059 0.035 0.000 1.325 341 L HN 0.282 nan 8.230 nan 0.000 0.418 342 P HA 0.057 nan 4.420 nan 0.000 0.269 342 P C -0.163 177.195 177.300 0.097 0.000 1.217 342 P CA -0.304 62.831 63.100 0.058 0.000 0.783 342 P CB 0.862 32.602 31.700 0.066 0.000 0.898 343 K N -0.187 120.153 120.400 -0.100 0.000 2.097 343 K HA -0.027 4.293 4.320 -0.000 0.000 0.206 343 K C 1.032 177.585 176.600 -0.078 0.000 1.049 343 K CA 1.389 57.531 56.287 -0.241 0.000 0.933 343 K CB -0.312 32.035 32.500 -0.255 0.000 0.717 343 K HN 0.421 nan 8.250 nan 0.000 0.442 344 S N -1.443 114.258 115.700 0.002 0.000 2.572 344 S HA 0.598 5.068 4.470 -0.000 0.000 0.274 344 S C -1.810 172.854 174.600 0.106 0.000 1.150 344 S CA -0.602 57.586 58.200 -0.021 0.000 0.944 344 S CB 1.762 64.929 63.200 -0.055 0.000 1.071 344 S HN 0.164 nan 8.310 nan 0.000 0.479 345 A N 5.734 128.656 122.820 0.171 0.000 3.216 345 A HA 0.598 4.918 4.320 -0.000 0.000 0.321 345 A C -2.418 175.231 177.584 0.109 0.000 1.042 345 A CA -1.104 51.026 52.037 0.153 0.000 0.838 345 A CB 0.389 19.497 19.000 0.180 0.000 1.136 345 A HN 0.597 nan 8.150 nan 0.000 0.483 346 P HA -0.011 nan 4.420 nan 0.000 0.226 346 P C 1.591 178.911 177.300 0.034 0.000 1.153 346 P CA 1.551 64.666 63.100 0.025 0.000 0.777 346 P CB 0.319 32.019 31.700 -0.000 0.000 0.794 347 G N -0.299 108.529 108.800 0.046 0.000 2.572 347 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.216 347 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.216 347 G C 0.459 175.451 174.900 0.153 0.000 1.133 347 G CA -0.114 45.032 45.100 0.077 0.000 0.791 347 G HN 0.242 nan 8.290 nan 0.000 0.538 348 L N 0.764 122.048 121.223 0.102 0.000 2.499 348 L HA 0.518 4.858 4.340 -0.000 0.000 0.273 348 L C 0.143 177.059 176.870 0.077 0.000 1.195 348 L CA -0.026 54.858 54.840 0.074 0.000 0.882 348 L CB 0.479 42.557 42.059 0.033 0.000 1.133 348 L HN 0.057 nan 8.230 nan 0.000 0.483 349 R N 2.941 123.463 120.500 0.036 0.000 2.795 349 R HA 0.692 5.032 4.340 -0.000 0.000 0.275 349 R C -1.594 174.442 176.300 -0.440 0.000 0.981 349 R CA -0.354 55.663 56.100 -0.139 0.000 0.917 349 R CB 1.806 32.092 30.300 -0.024 0.000 1.202 349 R HN 0.733 nan 8.270 nan 0.000 0.469 350 C N 2.681 121.670 119.300 -0.518 0.000 2.432 350 C HA 0.480 4.940 4.460 -0.000 0.000 0.334 350 C C -1.388 173.406 174.990 -0.327 0.000 1.155 350 C CA -1.028 57.730 59.018 -0.433 0.000 1.335 350 C CB 0.222 27.858 27.740 -0.174 0.000 1.964 350 C HN 0.755 nan 8.230 nan 0.000 0.444 351 Y N 1.652 121.947 120.300 -0.007 0.000 2.328 351 Y HA 0.498 5.048 4.550 -0.000 0.000 0.336 351 Y C 0.231 176.143 175.900 0.019 0.000 0.960 351 Y CA -0.733 57.377 58.100 0.018 0.000 1.134 351 Y CB 1.170 39.647 38.460 0.029 0.000 1.166 351 Y HN 0.535 nan 8.280 nan 0.000 0.464 352 K N 4.157 124.674 120.400 0.195 0.000 2.263 352 K HA 0.466 4.786 4.320 -0.000 0.000 0.272 352 K C -1.724 174.975 176.600 0.165 0.000 1.033 352 K CA -0.798 55.575 56.287 0.143 0.000 0.884 352 K CB 0.787 33.360 32.500 0.122 0.000 1.107 352 K HN 0.607 nan 8.250 nan 0.000 0.460 353 L N 4.349 125.650 121.223 0.131 0.000 2.287 353 L HA 0.499 4.839 4.340 -0.000 0.000 0.287 353 L C -1.317 175.622 176.870 0.115 0.000 1.022 353 L CA 0.295 55.213 54.840 0.129 0.000 0.814 353 L CB 1.151 43.258 42.059 0.081 0.000 1.217 353 L HN 0.782 nan 8.230 nan 0.000 0.420 354 S N 2.897 118.663 115.700 0.110 0.000 2.570 354 S HA 0.470 4.940 4.470 -0.000 0.000 0.270 354 S C 0.545 175.142 174.600 -0.006 0.000 1.149 354 S CA -1.006 57.231 58.200 0.062 0.000 0.837 354 S CB 1.575 64.806 63.200 0.052 0.000 1.124 354 S HN 0.562 nan 8.310 nan 0.000 0.465 355 K N 0.255 120.640 120.400 -0.025 0.000 2.059 355 K HA -0.123 4.196 4.320 -0.000 0.000 0.212 355 K C 0.912 177.413 176.600 -0.165 0.000 1.050 355 K CA 1.480 57.715 56.287 -0.085 0.000 0.927 355 K CB -0.059 32.401 32.500 -0.066 0.000 0.714 355 K HN 0.548 nan 8.250 nan 0.000 0.447 356 R N -1.054 119.362 120.500 -0.141 0.000 2.803 356 R HA 0.210 4.550 4.340 -0.000 0.000 0.276 356 R C 0.627 176.855 176.300 -0.120 0.000 0.978 356 R CA -0.458 55.529 56.100 -0.188 0.000 0.939 356 R CB 0.918 31.176 30.300 -0.071 0.000 1.179 356 R HN -0.118 nan 8.270 nan 0.000 0.472 357 F N 0.266 120.230 119.950 0.023 0.000 2.074 357 F HA -0.044 4.483 4.527 -0.000 0.000 0.293 357 F C 0.575 176.385 175.800 0.018 0.000 1.116 357 F CA 0.525 58.540 58.000 0.024 0.000 1.212 357 F CB 0.150 39.163 39.000 0.022 0.000 0.998 357 F HN 0.428 nan 8.300 nan 0.000 0.471 358 D N 0.482 121.008 120.400 0.209 0.000 2.256 358 D HA 0.119 4.759 4.640 -0.000 0.000 0.250 358 D C -0.333 176.006 176.300 0.065 0.000 1.093 358 D CA -0.160 53.908 54.000 0.114 0.000 0.882 358 D CB 0.871 41.718 40.800 0.078 0.000 1.185 358 D HN 0.038 nan 8.370 nan 0.000 0.437 359 Q N 1.202 121.030 119.800 0.047 0.000 2.420 359 Q HA -0.252 4.088 4.340 -0.000 0.000 0.367 359 Q C -1.451 174.554 176.000 0.008 0.000 1.369 359 Q CA 0.704 56.518 55.803 0.018 0.000 1.080 359 Q CB -0.558 28.189 28.738 0.015 0.000 1.223 359 Q HN 0.471 nan 8.270 nan 0.000 0.315 360 D N 1.377 121.777 120.400 -0.000 0.000 2.837 360 D HA 0.379 5.019 4.640 -0.000 0.000 0.220 360 D C -1.035 175.251 176.300 -0.024 0.000 1.236 360 D CA -0.644 53.353 54.000 -0.004 0.000 0.838 360 D CB 1.075 41.882 40.800 0.011 0.000 1.647 360 D HN 0.236 nan 8.370 nan 0.000 0.486 361 I N 2.044 122.597 120.570 -0.028 0.000 2.556 361 I HA 0.135 4.305 4.170 -0.000 0.000 0.284 361 I C 0.752 176.864 176.117 -0.009 0.000 1.114 361 I CA 0.074 61.352 61.300 -0.037 0.000 1.418 361 I CB 0.822 38.806 38.000 -0.026 0.000 1.394 361 I HN 0.291 nan 8.210 nan 0.000 0.552 362 S N 4.971 120.666 115.700 -0.009 0.000 2.531 362 S HA 0.398 4.868 4.470 -0.000 0.000 0.279 362 S C 1.021 175.633 174.600 0.020 0.000 1.305 362 S CA -0.298 57.913 58.200 0.019 0.000 1.058 362 S CB 1.340 64.554 63.200 0.022 0.000 0.899 362 S HN 0.745 nan 8.310 nan 0.000 0.493 363 A N 3.791 126.636 122.820 0.041 0.000 1.874 363 A HA 0.363 4.683 4.320 -0.000 0.000 0.214 363 A C 0.726 178.313 177.584 0.005 0.000 1.189 363 A CA 0.673 52.735 52.037 0.041 0.000 0.615 363 A CB -0.285 18.782 19.000 0.111 0.000 0.830 363 A HN 0.762 nan 8.150 nan 0.000 0.443 364 V N -2.029 117.891 119.914 0.011 0.000 2.823 364 V HA 0.471 4.591 4.120 -0.000 0.000 0.312 364 V C -0.930 175.205 176.094 0.068 0.000 1.072 364 V CA -0.785 61.524 62.300 0.015 0.000 0.937 364 V CB 1.517 33.322 31.823 -0.030 0.000 1.013 364 V HN 0.246 nan 8.190 nan 0.000 0.430 365 C N 3.268 122.631 119.300 0.105 0.000 2.978 365 C HA 0.662 5.122 4.460 -0.000 0.000 0.274 365 C C 0.731 175.656 174.990 -0.107 0.000 1.087 365 C CA -0.616 58.422 59.018 0.033 0.000 1.453 365 C CB -0.466 27.276 27.740 0.002 0.000 1.838 365 C HN 1.126 nan 8.230 nan 0.000 0.470 366 G N 2.846 111.573 108.800 -0.121 0.000 2.356 366 G HA2 0.450 4.410 3.960 -0.000 0.000 0.300 366 G HA3 0.450 4.410 3.960 -0.000 0.000 0.300 366 G C -0.175 174.449 174.900 -0.461 0.000 1.107 366 G CA 0.043 44.873 45.100 -0.451 0.000 0.960 366 G HN 0.802 nan 8.290 nan 0.000 0.418 367 C N 4.480 123.427 119.300 -0.588 0.000 2.301 367 C HA 0.492 4.952 4.460 -0.000 0.000 0.313 367 C C 0.038 174.787 174.990 -0.403 0.000 1.121 367 C CA -0.748 58.019 59.018 -0.418 0.000 1.507 367 C CB -1.149 26.422 27.740 -0.280 0.000 1.975 367 C HN 0.591 nan 8.230 nan 0.000 0.425 368 L N 3.712 124.678 121.223 -0.428 0.000 2.331 368 L HA 0.661 5.001 4.340 -0.000 0.000 0.275 368 L C 0.071 176.688 176.870 -0.423 0.000 1.022 368 L CA 0.138 54.666 54.840 -0.519 0.000 0.812 368 L CB 0.813 42.362 42.059 -0.851 0.000 1.257 368 L HN 0.514 nan 8.230 nan 0.000 0.435 369 N N 2.665 121.146 118.700 -0.364 0.000 2.699 369 N HA 0.412 5.152 4.740 -0.000 0.000 0.271 369 N C -1.877 173.582 175.510 -0.086 0.000 1.216 369 N CA -0.239 52.745 53.050 -0.109 0.000 0.844 369 N CB 0.940 39.388 38.487 -0.066 0.000 1.462 369 N HN 0.472 nan 8.380 nan 0.000 0.555 370 L N 1.368 122.604 121.223 0.021 0.000 2.342 370 L HA 0.623 4.963 4.340 -0.000 0.000 0.271 370 L C 0.308 177.142 176.870 -0.061 0.000 1.008 370 L CA -0.729 54.082 54.840 -0.047 0.000 0.818 370 L CB 2.141 44.138 42.059 -0.103 0.000 1.296 370 L HN 0.281 nan 8.230 nan 0.000 0.427 371 T N 2.849 117.354 114.554 -0.082 0.000 2.859 371 T HA 0.619 4.969 4.350 -0.000 0.000 0.281 371 T C -0.340 174.298 174.700 -0.103 0.000 1.005 371 T CA -0.443 61.612 62.100 -0.074 0.000 1.025 371 T CB 1.467 70.308 68.868 -0.045 0.000 0.977 371 T HN 0.260 nan 8.240 nan 0.000 0.458 372 L N 2.772 123.939 121.223 -0.094 0.000 2.313 372 L HA 0.533 4.873 4.340 -0.000 0.000 0.283 372 L C 0.105 176.953 176.870 -0.036 0.000 1.013 372 L CA -0.877 53.914 54.840 -0.082 0.000 0.816 372 L CB 1.675 43.678 42.059 -0.092 0.000 1.236 372 L HN 0.446 nan 8.230 nan 0.000 0.419 373 K N 2.679 123.066 120.400 -0.021 0.000 2.290 373 K HA 0.537 4.857 4.320 -0.000 0.000 0.250 373 K C 0.523 177.127 176.600 0.007 0.000 1.092 373 K CA 0.536 56.819 56.287 -0.007 0.000 1.006 373 K CB 0.413 32.909 32.500 -0.006 0.000 1.549 373 K HN 0.730 nan 8.250 nan 0.000 0.436 374 G N 1.506 110.313 108.800 0.012 0.000 2.559 374 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.282 374 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.282 374 G C 0.669 175.598 174.900 0.048 0.000 1.177 374 G CA 0.408 45.523 45.100 0.025 0.000 0.960 374 G HN 0.793 nan 8.290 nan 0.000 0.540 375 S N 0.490 116.224 115.700 0.057 0.000 2.556 375 S HA 0.406 4.876 4.470 -0.000 0.000 0.216 375 S C 0.672 175.337 174.600 0.108 0.000 0.970 375 S CA 1.005 59.259 58.200 0.091 0.000 0.912 375 S CB 0.249 63.491 63.200 0.070 0.000 0.790 375 S HN 0.683 nan 8.310 nan 0.000 0.504 376 K N 1.271 121.712 120.400 0.068 0.000 2.182 376 K HA 0.496 4.816 4.320 -0.000 0.000 0.262 376 K C -0.780 175.836 176.600 0.026 0.000 0.957 376 K CA -0.729 55.592 56.287 0.055 0.000 0.842 376 K CB 1.704 34.223 32.500 0.031 0.000 1.099 376 K HN 0.193 nan 8.250 nan 0.000 0.438 377 I N 2.190 122.774 120.570 0.024 0.000 2.618 377 I HA -0.101 4.069 4.170 -0.000 0.000 0.284 377 I C 1.560 177.658 176.117 -0.033 0.000 1.146 377 I CA 0.624 61.905 61.300 -0.033 0.000 1.425 377 I CB 0.381 38.368 38.000 -0.021 0.000 1.383 377 I HN 0.796 nan 8.210 nan 0.000 0.562 378 E N 3.004 123.174 120.200 -0.050 0.000 2.306 378 E HA 0.122 4.472 4.350 -0.000 0.000 0.201 378 E C -0.229 176.349 176.600 -0.036 0.000 0.874 378 E CA 0.571 56.949 56.400 -0.036 0.000 0.972 378 E CB 0.796 30.476 29.700 -0.033 0.000 0.957 378 E HN 0.727 nan 8.360 nan 0.000 0.492 379 T N 0.033 114.559 114.554 -0.047 0.000 2.909 379 T HA 0.669 5.019 4.350 -0.000 0.000 0.299 379 T C -1.261 173.406 174.700 -0.054 0.000 1.073 379 T CA -0.621 61.455 62.100 -0.041 0.000 0.999 379 T CB 1.857 70.706 68.868 -0.031 0.000 1.098 379 T HN 0.121 nan 8.240 nan 0.000 0.477 380 A N 2.615 125.406 122.820 -0.048 0.000 2.375 380 A HA 0.686 5.006 4.320 -0.000 0.000 0.291 380 A C -0.346 177.217 177.584 -0.037 0.000 1.160 380 A CA -0.840 51.162 52.037 -0.059 0.000 0.747 380 A CB 0.798 19.755 19.000 -0.071 0.000 1.170 380 A HN 0.670 nan 8.150 nan 0.000 0.458 381 R N 2.952 123.422 120.500 -0.051 0.000 2.287 381 R HA 0.413 4.753 4.340 -0.000 0.000 0.316 381 R C -1.339 174.922 176.300 -0.065 0.000 1.050 381 R CA -0.175 55.905 56.100 -0.035 0.000 0.983 381 R CB 0.886 31.166 30.300 -0.033 0.000 1.140 381 R HN 0.671 nan 8.270 nan 0.000 0.528 382 I N 2.443 123.011 120.570 -0.003 0.000 2.460 382 I HA 0.303 4.473 4.170 -0.000 0.000 0.277 382 I C 0.137 176.276 176.117 0.035 0.000 1.057 382 I CA -0.425 60.870 61.300 -0.008 0.000 1.179 382 I CB 1.600 39.708 38.000 0.179 0.000 1.329 382 I HN 0.436 nan 8.210 nan 0.000 0.478 383 A N 6.078 128.826 122.820 -0.119 0.000 2.306 383 A HA 0.842 5.162 4.320 -0.000 0.000 0.314 383 A C -1.053 176.358 177.584 -0.289 0.000 1.164 383 A CA -0.211 51.791 52.037 -0.059 0.000 0.822 383 A CB 0.570 19.544 19.000 -0.045 0.000 1.130 383 A HN 0.516 nan 8.150 nan 0.000 0.496 384 F N 0.605 120.541 119.950 -0.022 0.000 2.529 384 F HA 0.578 5.105 4.527 -0.000 0.000 0.320 384 F C 0.797 176.500 175.800 -0.161 0.000 1.118 384 F CA -0.182 57.718 58.000 -0.165 0.000 0.915 384 F CB 2.661 41.389 39.000 -0.453 0.000 1.161 384 F HN 0.749 nan 8.300 nan 0.000 0.445 385 G N 0.436 109.259 108.800 0.039 0.000 2.400 385 G HA2 0.468 4.428 3.960 -0.000 0.000 0.333 385 G HA3 0.468 4.428 3.960 -0.000 0.000 0.333 385 G C 0.519 175.406 174.900 -0.022 0.000 1.143 385 G CA -0.332 44.760 45.100 -0.013 0.000 0.914 385 G HN 1.250 nan 8.290 nan 0.000 0.480 386 G N 0.632 109.403 108.800 -0.049 0.000 2.179 386 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.257 386 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.257 386 G C 0.971 175.802 174.900 -0.115 0.000 1.010 386 G CA 0.789 45.853 45.100 -0.061 0.000 0.736 386 G HN 0.473 nan 8.290 nan 0.000 0.513 387 M N -0.981 118.515 119.600 -0.174 0.000 2.567 387 M HA 0.581 5.061 4.480 -0.000 0.000 0.261 387 M C 1.303 177.537 176.300 -0.110 0.000 1.180 387 M CA 1.360 56.473 55.300 -0.312 0.000 1.143 387 M CB -0.007 32.061 32.600 -0.888 0.000 1.319 387 M HN 0.976 nan 8.290 nan 0.000 0.490 388 A N -1.623 121.184 122.820 -0.021 0.000 2.765 388 A HA 0.679 4.999 4.320 -0.000 0.000 0.305 388 A C 0.837 178.400 177.584 -0.034 0.000 1.229 388 A CA 0.036 52.092 52.037 0.031 0.000 0.653 388 A CB -0.662 18.440 19.000 0.170 0.000 1.375 388 A HN 0.200 nan 8.150 nan 0.000 0.540 389 G N -1.192 107.587 108.800 -0.034 0.000 2.776 389 G HA2 0.401 4.361 3.960 -0.000 0.000 0.209 389 G HA3 0.401 4.361 3.960 -0.000 0.000 0.209 389 G C 0.056 175.011 174.900 0.091 0.000 1.145 389 G CA 1.322 46.375 45.100 -0.079 0.000 0.791 389 G HN 1.311 nan 8.290 nan 0.000 0.530 390 V N 0.297 120.257 119.914 0.076 0.000 3.108 390 V HA 0.348 4.468 4.120 -0.000 0.000 0.287 390 V C -2.454 173.641 176.094 0.002 0.000 1.436 390 V CA -1.638 60.704 62.300 0.069 0.000 1.001 390 V CB 3.142 35.054 31.823 0.148 0.000 1.141 390 V HN -0.008 nan 8.190 nan 0.000 0.443 391 P HA 0.333 nan 4.420 nan 0.000 0.271 391 P C -1.495 175.812 177.300 0.010 0.000 1.233 391 P CA -0.034 62.980 63.100 -0.143 0.000 0.764 391 P CB 0.296 31.761 31.700 -0.391 0.000 0.825 392 K N 2.490 122.982 120.400 0.153 0.000 2.536 392 K HA 0.560 4.880 4.320 -0.000 0.000 0.269 392 K C -0.462 176.334 176.600 0.326 0.000 0.965 392 K CA -1.262 55.163 56.287 0.229 0.000 0.860 392 K CB 1.920 34.557 32.500 0.228 0.000 1.423 392 K HN 0.271 nan 8.250 nan 0.000 0.438 393 R N 0.575 121.223 120.500 0.247 0.000 2.410 393 R HA 0.451 4.791 4.340 -0.000 0.000 0.288 393 R C -0.212 176.260 176.300 0.287 0.000 1.051 393 R CA -0.542 55.715 56.100 0.261 0.000 1.021 393 R CB 0.872 31.261 30.300 0.148 0.000 1.032 393 R HN 0.668 nan 8.270 nan 0.000 0.481 394 A N 2.588 125.650 122.820 0.403 0.000 2.981 394 A HA 0.292 4.612 4.320 -0.000 0.000 0.280 394 A C 1.505 179.180 177.584 0.152 0.000 1.797 394 A CA 0.220 52.439 52.037 0.304 0.000 1.456 394 A CB -0.623 18.731 19.000 0.590 0.000 1.057 394 A HN 0.968 nan 8.150 nan 0.000 0.602 395 A N 2.005 124.841 122.820 0.026 0.000 1.896 395 A HA -0.070 4.250 4.320 -0.000 0.000 0.220 395 A C 2.444 180.046 177.584 0.029 0.000 1.206 395 A CA 2.518 54.566 52.037 0.019 0.000 0.647 395 A CB -0.828 18.159 19.000 -0.021 0.000 0.828 395 A HN 1.419 nan 8.150 nan 0.000 0.455 396 A N -2.002 120.831 122.820 0.020 0.000 1.897 396 A HA 0.075 4.395 4.320 -0.000 0.000 0.215 396 A C 2.046 179.692 177.584 0.104 0.000 1.181 396 A CA 1.465 53.527 52.037 0.041 0.000 0.620 396 A CB -0.667 18.345 19.000 0.019 0.000 0.821 396 A HN 0.687 nan 8.150 nan 0.000 0.443 397 F N 0.812 120.770 119.950 0.014 0.000 2.269 397 F HA -0.088 4.439 4.527 -0.000 0.000 0.301 397 F C 2.014 177.850 175.800 0.060 0.000 1.082 397 F CA 1.800 59.833 58.000 0.055 0.000 1.360 397 F CB -0.099 38.964 39.000 0.104 0.000 1.041 397 F HN 0.395 nan 8.300 nan 0.000 0.512 398 E N -0.121 120.102 120.200 0.039 0.000 2.005 398 E HA -0.088 4.262 4.350 -0.000 0.000 0.191 398 E C 2.228 178.775 176.600 -0.088 0.000 0.987 398 E CA 0.888 57.265 56.400 -0.039 0.000 0.814 398 E CB -0.404 29.323 29.700 0.045 0.000 0.772 398 E HN 0.312 nan 8.360 nan 0.000 0.453 399 A N 0.570 123.366 122.820 -0.040 0.000 2.209 399 A HA 0.042 4.362 4.320 -0.000 0.000 0.212 399 A C 2.047 179.601 177.584 -0.050 0.000 1.158 399 A CA 1.243 53.257 52.037 -0.038 0.000 0.742 399 A CB -0.357 18.633 19.000 -0.017 0.000 0.790 399 A HN 0.329 nan 8.150 nan 0.000 0.472 400 A N -0.708 122.069 122.820 -0.072 0.000 1.929 400 A HA 0.115 4.435 4.320 -0.000 0.000 0.216 400 A C 1.969 179.491 177.584 -0.103 0.000 1.176 400 A CA 1.335 53.328 52.037 -0.073 0.000 0.628 400 A CB -0.355 18.607 19.000 -0.063 0.000 0.816 400 A HN 0.421 nan 8.150 nan 0.000 0.444 401 L N 0.419 121.538 121.223 -0.174 0.000 2.072 401 L HA 0.104 4.444 4.340 -0.000 0.000 0.205 401 L C 1.164 177.988 176.870 -0.077 0.000 1.079 401 L CA 0.783 55.524 54.840 -0.166 0.000 0.752 401 L CB -0.549 41.347 42.059 -0.272 0.000 0.906 401 L HN 0.557 nan 8.230 nan 0.000 0.436 402 I N -1.936 118.592 120.570 -0.070 0.000 2.775 402 I HA 0.274 4.444 4.170 -0.000 0.000 0.290 402 I C 1.404 177.507 176.117 -0.024 0.000 1.203 402 I CA 0.466 61.741 61.300 -0.041 0.000 1.433 402 I CB -0.342 37.635 38.000 -0.038 0.000 1.354 402 I HN 0.386 nan 8.210 nan 0.000 0.579 403 G N 3.037 111.830 108.800 -0.012 0.000 2.199 403 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.254 403 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.254 403 G C 0.300 175.205 174.900 0.008 0.000 0.982 403 G CA -0.035 45.063 45.100 -0.002 0.000 0.632 403 G HN 0.765 nan 8.290 nan 0.000 0.529 404 Q N 0.314 120.122 119.800 0.013 0.000 2.194 404 Q HA 0.458 4.798 4.340 -0.000 0.000 0.245 404 Q C -0.609 175.427 176.000 0.061 0.000 0.993 404 Q CA -0.735 55.086 55.803 0.029 0.000 0.930 404 Q CB 0.784 29.534 28.738 0.019 0.000 1.238 404 Q HN 0.262 nan 8.270 nan 0.000 0.486 405 D N 0.687 121.129 120.400 0.069 0.000 2.382 405 D HA 0.035 4.675 4.640 -0.000 0.000 0.245 405 D C -0.540 175.866 176.300 0.178 0.000 1.120 405 D CA 0.131 54.191 54.000 0.100 0.000 0.890 405 D CB 0.294 41.131 40.800 0.062 0.000 1.201 405 D HN 0.260 nan 8.370 nan 0.000 0.433 406 F N 4.047 124.011 119.950 0.023 0.000 2.871 406 F HA 0.182 4.709 4.527 -0.000 0.000 0.317 406 F C 0.286 176.109 175.800 0.038 0.000 1.193 406 F CA -0.496 57.527 58.000 0.039 0.000 1.311 406 F CB -0.441 38.585 39.000 0.044 0.000 1.380 406 F HN 0.044 nan 8.300 nan 0.000 0.557 407 R N 0.277 120.721 120.500 -0.094 0.000 2.602 407 R HA 0.211 4.551 4.340 -0.000 0.000 0.237 407 R C 1.249 177.439 176.300 -0.183 0.000 1.219 407 R CA -0.561 55.442 56.100 -0.162 0.000 1.121 407 R CB 0.220 30.486 30.300 -0.057 0.000 1.408 407 R HN 0.351 nan 8.270 nan 0.000 0.559 408 E N 0.774 120.895 120.200 -0.132 0.000 2.140 408 E HA -0.112 4.238 4.350 -0.000 0.000 0.191 408 E C 0.904 177.499 176.600 -0.008 0.000 0.973 408 E CA 0.634 56.991 56.400 -0.072 0.000 0.829 408 E CB 0.220 29.881 29.700 -0.065 0.000 0.781 408 E HN 0.527 nan 8.360 nan 0.000 0.466 409 D N 0.485 120.880 120.400 -0.009 0.000 2.123 409 D HA -0.207 4.433 4.640 -0.000 0.000 0.196 409 D C 1.975 178.294 176.300 0.031 0.000 0.992 409 D CA 1.994 56.002 54.000 0.013 0.000 0.833 409 D CB -0.785 40.019 40.800 0.006 0.000 0.954 409 D HN 0.236 nan 8.370 nan 0.000 0.455 410 T N -0.204 114.368 114.554 0.029 0.000 2.821 410 T HA -0.098 4.252 4.350 -0.000 0.000 0.267 410 T C 2.218 176.959 174.700 0.069 0.000 1.046 410 T CA 0.583 62.709 62.100 0.044 0.000 1.139 410 T CB -0.301 68.593 68.868 0.043 0.000 0.871 410 T HN 0.050 nan 8.240 nan 0.000 0.454 411 I N 2.419 123.044 120.570 0.092 0.000 2.315 411 I HA 0.051 4.221 4.170 -0.000 0.000 0.248 411 I C 3.120 179.365 176.117 0.213 0.000 1.117 411 I CA 1.063 62.463 61.300 0.166 0.000 1.404 411 I CB -1.823 36.304 38.000 0.212 0.000 1.071 411 I HN 0.374 nan 8.210 nan 0.000 0.419 412 A N 1.026 123.929 122.820 0.138 0.000 1.930 412 A HA -0.035 4.285 4.320 -0.000 0.000 0.217 412 A C 2.505 180.158 177.584 0.114 0.000 1.175 412 A CA 1.714 53.822 52.037 0.117 0.000 0.627 412 A CB -0.624 18.418 19.000 0.069 0.000 0.815 412 A HN 0.400 nan 8.150 nan 0.000 0.443 413 A N -0.594 122.284 122.820 0.097 0.000 2.066 413 A HA 0.336 4.656 4.320 -0.000 0.000 0.218 413 A C 2.244 179.896 177.584 0.114 0.000 1.157 413 A CA 1.508 53.595 52.037 0.084 0.000 0.670 413 A CB -0.565 18.470 19.000 0.058 0.000 0.804 413 A HN 0.935 nan 8.150 nan 0.000 0.453 414 A N -0.432 122.488 122.820 0.167 0.000 2.072 414 A HA 0.232 4.552 4.320 -0.000 0.000 0.216 414 A C 1.952 179.796 177.584 0.433 0.000 1.156 414 A CA 0.577 52.754 52.037 0.234 0.000 0.701 414 A CB -0.415 18.648 19.000 0.105 0.000 0.816 414 A HN 0.436 nan 8.150 nan 0.000 0.458 415 L N -0.217 121.222 121.223 0.360 0.000 2.013 415 L HA -0.171 4.169 4.340 -0.000 0.000 0.212 415 L C -0.481 176.428 176.870 0.065 0.000 1.073 415 L CA 1.745 56.689 54.840 0.174 0.000 0.753 415 L CB -1.629 40.477 42.059 0.079 0.000 0.890 415 L HN 0.217 nan 8.230 nan 0.000 0.432 416 P HA -0.202 nan 4.420 nan 0.000 0.218 416 P C 1.784 179.114 177.300 0.051 0.000 1.146 416 P CA 1.395 64.521 63.100 0.043 0.000 0.820 416 P CB -0.018 31.711 31.700 0.048 0.000 0.778 417 L N -2.014 119.280 121.223 0.118 0.000 2.362 417 L HA -0.121 4.219 4.340 -0.000 0.000 0.219 417 L C 2.236 179.155 176.870 0.083 0.000 1.134 417 L CA 0.789 55.704 54.840 0.126 0.000 0.807 417 L CB -0.727 41.458 42.059 0.209 0.000 0.927 417 L HN -0.016 nan 8.230 nan 0.000 0.447 418 L N -0.580 120.653 121.223 0.016 0.000 2.275 418 L HA -0.140 4.200 4.340 -0.000 0.000 0.215 418 L C 2.646 179.510 176.870 -0.011 0.000 1.119 418 L CA 0.824 55.634 54.840 -0.051 0.000 0.790 418 L CB -0.434 41.471 42.059 -0.258 0.000 0.919 418 L HN 0.247 nan 8.230 nan 0.000 0.443 419 A N -1.210 121.596 122.820 -0.024 0.000 2.067 419 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 419 A C 2.137 179.704 177.584 -0.029 0.000 1.156 419 A CA 0.870 52.896 52.037 -0.018 0.000 0.683 419 A CB -0.172 18.817 19.000 -0.018 0.000 0.808 419 A HN 0.436 nan 8.150 nan 0.000 0.455 420 Q N -0.730 119.047 119.800 -0.038 0.000 2.424 420 Q HA -0.054 4.286 4.340 -0.000 0.000 0.204 420 Q C 0.586 176.505 176.000 -0.134 0.000 0.933 420 Q CA 0.700 56.468 55.803 -0.058 0.000 0.929 420 Q CB 0.185 28.906 28.738 -0.028 0.000 1.037 420 Q HN 0.596 nan 8.270 nan 0.000 0.511 421 D N -0.703 119.559 120.400 -0.230 0.000 2.338 421 D HA 0.061 4.701 4.640 -0.000 0.000 0.224 421 D C -0.160 175.669 176.300 -0.785 0.000 0.967 421 D CA 0.777 54.435 54.000 -0.570 0.000 0.896 421 D CB 0.476 40.807 40.800 -0.781 0.000 1.028 421 D HN -0.000 nan 8.370 nan 0.000 0.493 422 F N -0.097 119.797 119.950 -0.093 0.000 2.563 422 F HA 0.396 4.923 4.527 0.000 0.000 0.316 422 F C 0.037 175.778 175.800 -0.099 0.000 1.076 422 F CA -0.866 57.069 58.000 -0.108 0.000 0.921 422 F CB 2.106 41.000 39.000 -0.177 0.000 1.209 422 F HN -0.486 nan 8.300 nan 0.000 0.462 423 T N 2.649 117.263 114.554 0.099 0.000 3.155 423 T HA 0.378 4.728 4.350 -0.000 0.000 0.384 423 T C -2.565 172.148 174.700 0.021 0.000 1.351 423 T CA -1.300 60.821 62.100 0.035 0.000 1.198 423 T CB 0.464 69.336 68.868 0.007 0.000 1.106 423 T HN 0.143 nan 8.240 nan 0.000 0.564 424 P HA 0.400 nan 4.420 nan 0.000 0.272 424 P C -0.484 176.793 177.300 -0.038 0.000 1.240 424 P CA -0.631 62.443 63.100 -0.044 0.000 0.791 424 P CB 0.746 32.388 31.700 -0.097 0.000 0.978 425 L N -0.087 121.108 121.223 -0.046 0.000 2.334 425 L HA 0.426 4.766 4.340 -0.000 0.000 0.270 425 L C 0.281 177.136 176.870 -0.024 0.000 1.018 425 L CA -0.499 54.318 54.840 -0.038 0.000 0.811 425 L CB 1.501 43.528 42.059 -0.054 0.000 1.271 425 L HN 0.255 nan 8.230 nan 0.000 0.443 426 S N 0.735 116.425 115.700 -0.016 0.000 2.462 426 S HA 0.565 5.035 4.470 -0.000 0.000 0.294 426 S C -1.020 173.575 174.600 -0.009 0.000 1.144 426 S CA -0.811 57.386 58.200 -0.005 0.000 1.088 426 S CB 1.035 64.234 63.200 -0.002 0.000 1.009 426 S HN 0.670 nan 8.310 nan 0.000 0.484 427 D N 1.623 122.021 120.400 -0.003 0.000 2.752 427 D HA 0.153 4.793 4.640 -0.000 0.000 0.313 427 D C 1.177 177.474 176.300 -0.004 0.000 1.225 427 D CA -0.808 53.188 54.000 -0.005 0.000 0.976 427 D CB -0.099 40.697 40.800 -0.007 0.000 1.443 427 D HN 0.390 nan 8.370 nan 0.000 0.515 428 M N -0.152 119.445 119.600 -0.005 0.000 2.346 428 M HA -0.060 4.420 4.480 -0.000 0.000 0.263 428 M C 1.054 177.346 176.300 -0.013 0.000 1.064 428 M CA 1.403 56.697 55.300 -0.010 0.000 1.083 428 M CB -1.023 31.573 32.600 -0.006 0.000 1.399 428 M HN 0.394 nan 8.290 nan 0.000 0.435 429 R N 1.063 121.561 120.500 -0.003 0.000 2.093 429 R HA 0.406 4.746 4.340 -0.000 0.000 0.224 429 R C 0.605 176.909 176.300 0.007 0.000 1.101 429 R CA 1.011 57.112 56.100 0.001 0.000 0.979 429 R CB 0.022 30.331 30.300 0.015 0.000 0.877 429 R HN 0.562 nan 8.270 nan 0.000 0.441 430 A N 0.247 123.082 122.820 0.026 0.000 2.590 430 A HA 0.328 4.648 4.320 -0.000 0.000 0.294 430 A C -0.774 176.850 177.584 0.066 0.000 1.046 430 A CA -0.788 51.288 52.037 0.065 0.000 0.684 430 A CB 0.983 20.141 19.000 0.263 0.000 1.279 430 A HN 0.149 nan 8.150 nan 0.000 0.415 431 S N 0.855 116.600 115.700 0.074 0.000 2.601 431 S HA 0.574 5.044 4.470 -0.000 0.000 0.271 431 S C 1.332 175.981 174.600 0.081 0.000 1.305 431 S CA 0.120 58.355 58.200 0.059 0.000 1.022 431 S CB 1.474 64.698 63.200 0.040 0.000 0.940 431 S HN 2.157 nan 8.310 nan 0.000 0.525 432 A N 2.472 125.310 122.820 0.031 0.000 1.940 432 A HA 0.100 4.420 4.320 -0.000 0.000 0.219 432 A C 2.413 179.999 177.584 0.004 0.000 1.176 432 A CA 1.844 53.883 52.037 0.003 0.000 0.631 432 A CB -1.711 17.282 19.000 -0.011 0.000 0.814 432 A HN 1.404 nan 8.150 nan 0.000 0.446 433 A N -1.228 121.609 122.820 0.027 0.000 1.903 433 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 433 A C 2.191 179.810 177.584 0.059 0.000 1.191 433 A CA 1.999 54.056 52.037 0.033 0.000 0.638 433 A CB -0.908 18.117 19.000 0.042 0.000 0.823 433 A HN 0.822 nan 8.150 nan 0.000 0.451 434 Y N -0.089 120.187 120.300 -0.039 0.000 2.220 434 Y HA -0.087 4.463 4.550 -0.000 0.000 0.291 434 Y C 2.509 178.379 175.900 -0.050 0.000 1.129 434 Y CA 1.827 59.904 58.100 -0.038 0.000 1.161 434 Y CB -0.406 38.035 38.460 -0.032 0.000 0.997 434 Y HN 0.289 nan 8.280 nan 0.000 0.522 435 R N -0.476 119.964 120.500 -0.100 0.000 2.082 435 R HA -0.239 4.101 4.340 -0.000 0.000 0.234 435 R C 2.349 178.488 176.300 -0.268 0.000 1.136 435 R CA 2.187 58.162 56.100 -0.209 0.000 0.935 435 R CB -0.455 29.782 30.300 -0.106 0.000 0.842 435 R HN 0.434 nan 8.270 nan 0.000 0.430 436 M N 0.881 120.363 119.600 -0.198 0.000 2.086 436 M HA -0.194 4.286 4.480 -0.000 0.000 0.261 436 M C 1.843 178.018 176.300 -0.208 0.000 1.067 436 M CA 1.791 56.965 55.300 -0.210 0.000 1.116 436 M CB -0.550 31.973 32.600 -0.127 0.000 1.348 436 M HN 0.171 nan 8.290 nan 0.000 0.407 437 N N -0.178 118.424 118.700 -0.163 0.000 2.137 437 N HA -0.176 4.564 4.740 -0.000 0.000 0.190 437 N C 1.569 176.969 175.510 -0.183 0.000 1.017 437 N CA 1.682 54.650 53.050 -0.136 0.000 0.859 437 N CB -0.064 38.377 38.487 -0.076 0.000 1.002 437 N HN 0.520 nan 8.380 nan 0.000 0.428 438 A N 0.816 123.456 122.820 -0.301 0.000 1.930 438 A HA 0.045 4.365 4.320 -0.000 0.000 0.217 438 A C 2.394 179.888 177.584 -0.150 0.000 1.175 438 A CA 1.616 53.473 52.037 -0.300 0.000 0.627 438 A CB -0.764 17.924 19.000 -0.521 0.000 0.815 438 A HN 0.441 nan 8.150 nan 0.000 0.443 439 A N -0.566 122.138 122.820 -0.194 0.000 1.908 439 A HA -0.241 4.079 4.320 -0.000 0.000 0.218 439 A C 2.103 179.654 177.584 -0.055 0.000 1.181 439 A CA 1.833 53.778 52.037 -0.153 0.000 0.627 439 A CB -0.572 18.010 19.000 -0.697 0.000 0.818 439 A HN 0.627 nan 8.150 nan 0.000 0.445 440 Q N -0.803 118.906 119.800 -0.151 0.000 2.230 440 Q HA 0.059 4.399 4.340 -0.000 0.000 0.202 440 Q C 2.278 178.262 176.000 -0.026 0.000 0.963 440 Q CA 1.122 56.853 55.803 -0.120 0.000 0.866 440 Q CB -0.338 28.326 28.738 -0.123 0.000 0.931 440 Q HN 0.689 nan 8.270 nan 0.000 0.452 441 A N 0.374 123.176 122.820 -0.031 0.000 1.969 441 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 441 A C 1.952 179.543 177.584 0.012 0.000 1.169 441 A CA 1.129 53.158 52.037 -0.014 0.000 0.635 441 A CB -0.354 18.620 19.000 -0.043 0.000 0.810 441 A HN 0.303 nan 8.150 nan 0.000 0.445 442 M N -0.687 118.948 119.600 0.060 0.000 2.229 442 M HA -0.073 4.407 4.480 -0.000 0.000 0.264 442 M C 2.460 178.908 176.300 0.246 0.000 1.063 442 M CA 1.142 56.523 55.300 0.135 0.000 1.114 442 M CB -0.283 32.491 32.600 0.289 0.000 1.387 442 M HN 0.482 nan 8.290 nan 0.000 0.420 443 A N 0.710 123.666 122.820 0.226 0.000 1.855 443 A HA -0.114 4.206 4.320 -0.000 0.000 0.215 443 A C 2.057 179.824 177.584 0.305 0.000 1.191 443 A CA 1.365 53.594 52.037 0.319 0.000 0.613 443 A CB -0.932 18.256 19.000 0.312 0.000 0.829 443 A HN 0.433 nan 8.150 nan 0.000 0.442 444 L N -0.686 120.647 121.223 0.183 0.000 2.042 444 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 444 L C 2.763 179.692 176.870 0.098 0.000 1.076 444 L CA 1.863 56.776 54.840 0.122 0.000 0.749 444 L CB -0.528 41.570 42.059 0.064 0.000 0.893 444 L HN 0.524 nan 8.230 nan 0.000 0.432 445 R N -0.390 120.152 120.500 0.071 0.000 2.091 445 R HA -0.267 4.073 4.340 -0.000 0.000 0.238 445 R C 2.470 178.844 176.300 0.124 0.000 1.136 445 R CA 1.876 57.976 56.100 0.001 0.000 0.959 445 R CB -0.603 29.569 30.300 -0.213 0.000 0.856 445 R HN 0.312 nan 8.270 nan 0.000 0.437 446 Y N 0.985 121.390 120.300 0.175 0.000 2.333 446 Y HA -0.171 4.378 4.550 -0.000 0.000 0.290 446 Y C 1.864 177.938 175.900 0.290 0.000 1.144 446 Y CA 1.604 59.894 58.100 0.317 0.000 1.228 446 Y CB 0.122 38.814 38.460 0.386 0.000 0.985 446 Y HN -0.063 nan 8.280 nan 0.000 0.542 447 V N 0.185 120.239 119.914 0.234 0.000 2.323 447 V HA -0.245 3.874 4.120 -0.000 0.000 0.244 447 V C 2.261 178.276 176.094 -0.132 0.000 1.041 447 V CA 2.131 64.373 62.300 -0.095 0.000 1.025 447 V CB -0.695 31.014 31.823 -0.189 0.000 0.656 447 V HN 0.253 nan 8.190 nan 0.000 0.451 448 R N 0.102 120.571 120.500 -0.051 0.000 2.066 448 R HA -0.138 4.202 4.340 -0.000 0.000 0.232 448 R C 2.453 178.730 176.300 -0.039 0.000 1.131 448 R CA 1.610 57.678 56.100 -0.052 0.000 0.955 448 R CB -0.376 29.904 30.300 -0.033 0.000 0.851 448 R HN 0.569 nan 8.270 nan 0.000 0.432 449 E N 0.917 121.105 120.200 -0.019 0.000 2.077 449 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 449 E C 1.764 178.347 176.600 -0.029 0.000 0.989 449 E CA 0.966 57.361 56.400 -0.008 0.000 0.800 449 E CB 0.100 29.828 29.700 0.046 0.000 0.746 449 E HN 0.305 nan 8.360 nan 0.000 0.452 450 L N 0.465 121.651 121.223 -0.062 0.000 2.554 450 L HA -0.017 4.323 4.340 -0.000 0.000 0.226 450 L C 2.366 179.244 176.870 0.013 0.000 1.137 450 L CA 0.593 55.410 54.840 -0.037 0.000 0.863 450 L CB -0.055 41.966 42.059 -0.063 0.000 0.985 450 L HN 0.133 nan 8.230 nan 0.000 0.451 451 S N -1.013 114.668 115.700 -0.031 0.000 2.501 451 S HA 0.122 4.592 4.470 -0.000 0.000 0.220 451 S C 1.442 176.028 174.600 -0.024 0.000 0.997 451 S CA 0.512 58.688 58.200 -0.040 0.000 0.919 451 S CB 0.528 63.675 63.200 -0.090 0.000 0.778 451 S HN 0.467 nan 8.310 nan 0.000 0.523 452 G N 0.518 109.305 108.800 -0.021 0.000 2.135 452 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.183 452 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.183 452 G C -0.365 174.525 174.900 -0.016 0.000 1.004 452 G CA -0.201 44.891 45.100 -0.015 0.000 0.677 452 G HN 0.545 nan 8.290 nan 0.000 0.512 453 E N 0.088 120.275 120.200 -0.021 0.000 2.319 453 E HA 0.573 4.923 4.350 -0.000 0.000 0.268 453 E C 0.732 177.322 176.600 -0.017 0.000 1.050 453 E CA -0.018 56.370 56.400 -0.020 0.000 0.878 453 E CB 1.232 30.916 29.700 -0.026 0.000 1.066 453 E HN 0.600 nan 8.360 nan 0.000 0.406 454 A N 2.320 125.131 122.820 -0.014 0.000 2.396 454 A HA 0.257 4.577 4.320 -0.000 0.000 0.279 454 A C 0.416 177.990 177.584 -0.017 0.000 1.165 454 A CA -0.193 51.836 52.037 -0.013 0.000 0.824 454 A CB 0.196 19.191 19.000 -0.009 0.000 1.100 454 A HN 0.441 nan 8.150 nan 0.000 0.516 455 V N 2.173 122.074 119.914 -0.022 0.000 3.161 455 V HA 0.201 4.321 4.120 -0.000 0.000 0.228 455 V C 1.280 177.350 176.094 -0.040 0.000 1.415 455 V CA 0.679 62.957 62.300 -0.036 0.000 1.285 455 V CB -0.715 31.075 31.823 -0.055 0.000 1.100 455 V HN 0.978 nan 8.190 nan 0.000 0.478 456 A N 0.865 123.665 122.820 -0.034 0.000 2.444 456 A HA 0.385 4.705 4.320 -0.000 0.000 0.273 456 A C 1.189 178.753 177.584 -0.033 0.000 1.136 456 A CA 0.687 52.703 52.037 -0.036 0.000 0.799 456 A CB 0.841 19.826 19.000 -0.024 0.000 1.081 456 A HN 0.336 nan 8.150 nan 0.000 0.509 457 V N 3.986 123.888 119.914 -0.021 0.000 2.809 457 V HA -0.057 4.063 4.120 -0.000 0.000 0.256 457 V C 1.431 177.492 176.094 -0.054 0.000 1.080 457 V CA 1.716 64.020 62.300 0.007 0.000 1.102 457 V CB -0.433 31.451 31.823 0.102 0.000 0.705 457 V HN 0.778 nan 8.190 nan 0.000 0.475 458 L N -0.051 121.067 121.223 -0.175 0.000 2.645 458 L HA 0.235 4.575 4.340 -0.000 0.000 0.234 458 L C 1.657 178.444 176.870 -0.139 0.000 1.165 458 L CA 0.467 55.149 54.840 -0.262 0.000 0.944 458 L CB -0.097 41.668 42.059 -0.490 0.000 1.149 458 L HN 0.393 nan 8.230 nan 0.000 0.446 459 E N -1.440 118.712 120.200 -0.079 0.000 2.601 459 E HA 0.110 4.460 4.350 -0.000 0.000 0.219 459 E C 0.009 176.592 176.600 -0.028 0.000 0.964 459 E CA -0.155 56.216 56.400 -0.049 0.000 1.050 459 E CB 1.155 30.832 29.700 -0.038 0.000 1.068 459 E HN 0.077 nan 8.360 nan 0.000 0.496 460 V N 3.073 122.975 119.914 -0.021 0.000 2.521 460 V HA 0.053 4.173 4.120 -0.000 0.000 0.286 460 V C 0.288 176.381 176.094 -0.001 0.000 1.034 460 V CA 0.309 62.606 62.300 -0.005 0.000 1.045 460 V CB 0.549 32.376 31.823 0.006 0.000 0.974 460 V HN 0.228 nan 8.190 nan 0.000 0.480 461 M N 6.900 126.500 119.600 0.000 0.000 2.209 461 M HA 0.443 4.923 4.480 -0.000 0.000 0.355 461 M C -1.320 174.985 176.300 0.009 0.000 1.171 461 M CA -2.030 53.272 55.300 0.003 0.000 1.069 461 M CB 0.533 33.133 32.600 0.001 0.000 1.622 461 M HN 0.572 nan 8.290 nan 0.000 0.459 462 P HA 0.000 nan 4.420 nan 0.000 0.216 462 P CA 0.000 63.109 63.100 0.016 0.000 0.800 462 P CB 0.000 31.712 31.700 0.020 0.000 0.726